USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 THR OG1 : rot 26:sc= 0.332 USER MOD Single : A 25 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.327 USER MOD Single : A 30 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.023) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 36 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0139 X(o=0.014,f=-0.086) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.5) USER MOD Single : A 68 SER OG : rot -66:sc= 0.15 USER MOD Single : A 71 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 82 GLN : amide:sc= 0.138 X(o=0.14,f=-0.075) USER MOD Single : A 84 SER OG : rot 180:sc= -0.457 USER MOD Single : A 86 GLN : amide:sc= -0.256 K(o=-0.26,f=-3) USER MOD Single : A 93 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.029) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.59 K(o=-1.6,f=-5.2!) USER MOD Single : A 100 ASN : amide:sc= -1.73 X(o=-1.7,f=-2!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 62:sc= 0.335 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 6.913 8.163 -5.438 1.00 23.52 N ATOM 2 CA THR A 22 7.017 6.709 -5.446 1.00 31.22 C ATOM 3 C THR A 22 5.758 6.071 -6.022 1.00 11.12 C ATOM 4 O THR A 22 4.936 5.503 -5.303 1.00 12.04 O ATOM 5 CB THR A 22 7.257 6.155 -4.029 1.00 31.04 C ATOM 6 OG1 THR A 22 8.171 7.000 -3.321 1.00 14.14 O ATOM 7 CG2 THR A 22 7.810 4.739 -4.088 1.00 34.15 C ATOM 0 HA THR A 22 7.870 6.457 -6.076 1.00 31.22 H new ATOM 0 HB THR A 22 6.302 6.134 -3.505 1.00 31.04 H new ATOM 0 HG1 THR A 22 8.129 7.908 -3.688 1.00 14.14 H new ATOM 0 HG21 THR A 22 7.971 4.369 -3.076 1.00 34.15 H new ATOM 0 HG22 THR A 22 7.099 4.092 -4.602 1.00 34.15 H new ATOM 0 HG23 THR A 22 8.756 4.740 -4.629 1.00 34.15 H new ATOM 15 N PRO A 23 5.601 6.165 -7.351 1.00 30.24 N ATOM 16 CA PRO A 23 4.444 5.601 -8.053 1.00 2.11 C ATOM 17 C PRO A 23 4.459 4.076 -8.064 1.00 1.44 C ATOM 18 O PRO A 23 5.303 3.444 -8.699 1.00 42.31 O ATOM 19 CB PRO A 23 4.592 6.147 -9.475 1.00 50.41 C ATOM 20 CG PRO A 23 6.050 6.413 -9.629 1.00 53.23 C ATOM 21 CD PRO A 23 6.541 6.828 -8.270 1.00 21.30 C ATOM 0 HA PRO A 23 3.504 5.872 -7.573 1.00 2.11 H new ATOM 0 HB2 PRO A 23 4.241 5.427 -10.214 1.00 50.41 H new ATOM 0 HB3 PRO A 23 4.007 7.056 -9.613 1.00 50.41 H new ATOM 0 HG2 PRO A 23 6.574 5.523 -9.978 1.00 53.23 H new ATOM 0 HG3 PRO A 23 6.228 7.197 -10.365 1.00 53.23 H new ATOM 0 HD2 PRO A 23 7.567 6.504 -8.097 1.00 21.30 H new ATOM 0 HD3 PRO A 23 6.524 7.911 -8.150 1.00 21.30 H new ATOM 29 N PRO A 24 3.503 3.469 -7.344 1.00 44.44 N ATOM 30 CA PRO A 24 3.385 2.011 -7.256 1.00 61.13 C ATOM 31 C PRO A 24 2.930 1.386 -8.571 1.00 20.25 C ATOM 32 O PRO A 24 3.370 0.295 -8.936 1.00 35.12 O ATOM 33 CB PRO A 24 2.325 1.806 -6.171 1.00 70.03 C ATOM 34 CG PRO A 24 1.513 3.055 -6.194 1.00 5.12 C ATOM 35 CD PRO A 24 2.464 4.160 -6.562 1.00 44.12 C ATOM 0 HA PRO A 24 4.341 1.537 -7.032 1.00 61.13 H new ATOM 0 HB2 PRO A 24 1.710 0.930 -6.379 1.00 70.03 H new ATOM 0 HB3 PRO A 24 2.783 1.650 -5.194 1.00 70.03 H new ATOM 0 HG2 PRO A 24 0.702 2.980 -6.919 1.00 5.12 H new ATOM 0 HG3 PRO A 24 1.056 3.241 -5.222 1.00 5.12 H new ATOM 0 HD2 PRO A 24 1.971 4.937 -7.147 1.00 44.12 H new ATOM 0 HD3 PRO A 24 2.881 4.643 -5.678 1.00 44.12 H new ATOM 43 N HIS A 25 2.047 2.084 -9.278 1.00 62.41 N ATOM 44 CA HIS A 25 1.533 1.597 -10.553 1.00 64.34 C ATOM 45 C HIS A 25 0.802 0.270 -10.373 1.00 70.25 C ATOM 46 O HIS A 25 1.416 -0.798 -10.389 1.00 41.53 O ATOM 47 CB HIS A 25 2.675 1.431 -11.557 1.00 54.24 C ATOM 48 CG HIS A 25 2.730 2.519 -12.586 1.00 21.23 C ATOM 49 ND1 HIS A 25 3.105 3.813 -12.293 1.00 22.03 N ATOM 50 CD2 HIS A 25 2.457 2.499 -13.911 1.00 71.32 C ATOM 51 CE1 HIS A 25 3.059 4.542 -13.393 1.00 53.32 C ATOM 52 NE2 HIS A 25 2.669 3.768 -14.390 1.00 14.31 N ATOM 0 H HIS A 25 1.673 2.988 -8.990 1.00 62.41 H new ATOM 0 HA HIS A 25 0.826 2.332 -10.936 1.00 64.34 H new ATOM 0 HB2 HIS A 25 3.622 1.404 -11.017 1.00 54.24 H new ATOM 0 HB3 HIS A 25 2.568 0.470 -12.061 1.00 54.24 H new ATOM 0 HD2 HIS A 25 2.133 1.644 -14.485 1.00 71.32 H new ATOM 0 HE1 HIS A 25 3.299 5.592 -13.465 1.00 53.32 H new ATOM 0 HE2 HIS A 25 2.546 4.065 -15.358 1.00 14.31 H new ATOM 60 N THR A 26 -0.514 0.344 -10.201 1.00 73.45 N ATOM 61 CA THR A 26 -1.329 -0.851 -10.017 1.00 10.45 C ATOM 62 C THR A 26 -2.328 -1.017 -11.156 1.00 43.21 C ATOM 63 O THR A 26 -3.523 -0.778 -10.985 1.00 63.13 O ATOM 64 CB THR A 26 -2.094 -0.807 -8.681 1.00 34.15 C ATOM 65 OG1 THR A 26 -2.589 0.515 -8.442 1.00 51.42 O ATOM 66 CG2 THR A 26 -1.197 -1.234 -7.529 1.00 11.44 C ATOM 0 H THR A 26 -1.038 1.219 -10.185 1.00 73.45 H new ATOM 0 HA THR A 26 -0.647 -1.701 -10.010 1.00 10.45 H new ATOM 0 HB THR A 26 -2.932 -1.502 -8.745 1.00 34.15 H new ATOM 0 HG1 THR A 26 -3.075 0.533 -7.591 1.00 51.42 H new ATOM 0 HG21 THR A 26 -1.759 -1.195 -6.596 1.00 11.44 H new ATOM 0 HG22 THR A 26 -0.846 -2.252 -7.699 1.00 11.44 H new ATOM 0 HG23 THR A 26 -0.342 -0.562 -7.465 1.00 11.44 H new ATOM 74 N GLU A 27 -1.830 -1.428 -12.318 1.00 42.01 N ATOM 75 CA GLU A 27 -2.680 -1.626 -13.486 1.00 14.41 C ATOM 76 C GLU A 27 -3.315 -0.309 -13.926 1.00 33.54 C ATOM 77 O GLU A 27 -3.509 0.611 -13.132 1.00 5.53 O ATOM 78 CB GLU A 27 -3.772 -2.654 -13.181 1.00 64.24 C ATOM 79 CG GLU A 27 -3.243 -3.937 -12.561 1.00 12.52 C ATOM 80 CD GLU A 27 -3.442 -5.143 -13.457 1.00 64.32 C ATOM 81 OE1 GLU A 27 -3.085 -5.060 -14.651 1.00 42.32 O ATOM 82 OE2 GLU A 27 -3.954 -6.171 -12.966 1.00 5.45 O ATOM 0 H GLU A 27 -0.843 -1.630 -12.475 1.00 42.01 H new ATOM 0 HA GLU A 27 -2.056 -1.999 -14.299 1.00 14.41 H new ATOM 0 HB2 GLU A 27 -4.501 -2.207 -12.505 1.00 64.24 H new ATOM 0 HB3 GLU A 27 -4.299 -2.897 -14.104 1.00 64.24 H new ATOM 0 HG2 GLU A 27 -2.181 -3.821 -12.345 1.00 12.52 H new ATOM 0 HG3 GLU A 27 -3.745 -4.110 -11.609 1.00 12.52 H new ATOM 89 N PRO A 28 -3.647 -0.217 -15.222 1.00 33.21 N ATOM 90 CA PRO A 28 -4.265 0.981 -15.797 1.00 50.15 C ATOM 91 C PRO A 28 -5.697 1.184 -15.315 1.00 74.52 C ATOM 92 O PRO A 28 -6.366 0.233 -14.910 1.00 73.24 O ATOM 93 CB PRO A 28 -4.242 0.704 -17.303 1.00 22.13 C ATOM 94 CG PRO A 28 -4.223 -0.782 -17.414 1.00 44.52 C ATOM 95 CD PRO A 28 -3.446 -1.276 -16.225 1.00 42.14 C ATOM 0 HA PRO A 28 -3.737 1.890 -15.508 1.00 50.15 H new ATOM 0 HB2 PRO A 28 -5.117 1.127 -17.797 1.00 22.13 H new ATOM 0 HB3 PRO A 28 -3.365 1.148 -17.774 1.00 22.13 H new ATOM 0 HG2 PRO A 28 -5.235 -1.186 -17.414 1.00 44.52 H new ATOM 0 HG3 PRO A 28 -3.754 -1.098 -18.346 1.00 44.52 H new ATOM 0 HD2 PRO A 28 -3.818 -2.238 -15.873 1.00 42.14 H new ATOM 0 HD3 PRO A 28 -2.391 -1.410 -16.462 1.00 42.14 H new ATOM 103 N SER A 29 -6.162 2.428 -15.362 1.00 33.14 N ATOM 104 CA SER A 29 -7.515 2.755 -14.926 1.00 1.30 C ATOM 105 C SER A 29 -7.961 4.096 -15.501 1.00 73.03 C ATOM 106 O SER A 29 -7.590 5.154 -14.995 1.00 14.42 O ATOM 107 CB SER A 29 -7.586 2.794 -13.398 1.00 70.02 C ATOM 108 OG SER A 29 -6.390 2.301 -12.819 1.00 51.33 O ATOM 0 H SER A 29 -5.622 3.226 -15.697 1.00 33.14 H new ATOM 0 HA SER A 29 -8.186 1.979 -15.294 1.00 1.30 H new ATOM 0 HB2 SER A 29 -7.760 3.817 -13.065 1.00 70.02 H new ATOM 0 HB3 SER A 29 -8.432 2.199 -13.055 1.00 70.02 H new ATOM 0 HG SER A 29 -6.460 2.338 -11.842 1.00 51.33 H new ATOM 114 N GLN A 30 -8.760 4.041 -16.562 1.00 64.05 N ATOM 115 CA GLN A 30 -9.256 5.251 -17.208 1.00 33.43 C ATOM 116 C GLN A 30 -10.610 5.657 -16.635 1.00 31.54 C ATOM 117 O GLN A 30 -11.323 6.473 -17.218 1.00 73.11 O ATOM 118 CB GLN A 30 -9.372 5.038 -18.718 1.00 64.20 C ATOM 119 CG GLN A 30 -8.170 4.332 -19.327 1.00 13.45 C ATOM 120 CD GLN A 30 -8.302 4.142 -20.825 1.00 14.13 C ATOM 121 OE1 GLN A 30 -8.070 3.051 -21.346 1.00 50.14 O ATOM 122 NE2 GLN A 30 -8.678 5.205 -21.526 1.00 45.40 N ATOM 0 H GLN A 30 -9.078 3.172 -16.992 1.00 64.05 H new ATOM 0 HA GLN A 30 -8.544 6.053 -17.015 1.00 33.43 H new ATOM 0 HB2 GLN A 30 -10.269 4.455 -18.927 1.00 64.20 H new ATOM 0 HB3 GLN A 30 -9.500 6.005 -19.204 1.00 64.20 H new ATOM 0 HG2 GLN A 30 -7.269 4.908 -19.116 1.00 13.45 H new ATOM 0 HG3 GLN A 30 -8.045 3.359 -18.851 1.00 13.45 H new ATOM 0 HE21 GLN A 30 -8.860 6.090 -21.052 1.00 45.40 H new ATOM 0 HE22 GLN A 30 -8.785 5.137 -22.538 1.00 45.40 H new ATOM 131 N VAL A 31 -10.959 5.081 -15.488 1.00 63.23 N ATOM 132 CA VAL A 31 -12.227 5.383 -14.836 1.00 1.14 C ATOM 133 C VAL A 31 -12.049 5.525 -13.328 1.00 71.31 C ATOM 134 O VAL A 31 -11.182 4.886 -12.732 1.00 1.14 O ATOM 135 CB VAL A 31 -13.277 4.292 -15.117 1.00 52.33 C ATOM 136 CG1 VAL A 31 -13.448 4.089 -16.615 1.00 44.11 C ATOM 137 CG2 VAL A 31 -12.888 2.990 -14.435 1.00 60.40 C ATOM 0 H VAL A 31 -10.381 4.403 -14.992 1.00 63.23 H new ATOM 0 HA VAL A 31 -12.578 6.329 -15.249 1.00 1.14 H new ATOM 0 HB VAL A 31 -14.233 4.618 -14.707 1.00 52.33 H new ATOM 0 HG11 VAL A 31 -14.194 3.315 -16.794 1.00 44.11 H new ATOM 0 HG12 VAL A 31 -13.776 5.022 -17.073 1.00 44.11 H new ATOM 0 HG13 VAL A 31 -12.497 3.785 -17.052 1.00 44.11 H new ATOM 0 HG21 VAL A 31 -13.641 2.230 -14.644 1.00 60.40 H new ATOM 0 HG22 VAL A 31 -11.921 2.656 -14.812 1.00 60.40 H new ATOM 0 HG23 VAL A 31 -12.822 3.149 -13.359 1.00 60.40 H new ATOM 147 N VAL A 32 -12.877 6.366 -12.716 1.00 42.15 N ATOM 148 CA VAL A 32 -12.813 6.591 -11.277 1.00 63.04 C ATOM 149 C VAL A 32 -14.174 6.377 -10.626 1.00 75.24 C ATOM 150 O VAL A 32 -15.207 6.750 -11.184 1.00 73.35 O ATOM 151 CB VAL A 32 -12.319 8.013 -10.953 1.00 41.40 C ATOM 152 CG1 VAL A 32 -11.026 8.312 -11.696 1.00 5.23 C ATOM 153 CG2 VAL A 32 -13.389 9.039 -11.295 1.00 41.21 C ATOM 0 H VAL A 32 -13.600 6.903 -13.195 1.00 42.15 H new ATOM 0 HA VAL A 32 -12.104 5.867 -10.875 1.00 63.04 H new ATOM 0 HB VAL A 32 -12.118 8.074 -9.884 1.00 41.40 H new ATOM 0 HG11 VAL A 32 -10.693 9.321 -11.454 1.00 5.23 H new ATOM 0 HG12 VAL A 32 -10.261 7.596 -11.397 1.00 5.23 H new ATOM 0 HG13 VAL A 32 -11.197 8.234 -12.770 1.00 5.23 H new ATOM 0 HG21 VAL A 32 -13.023 10.038 -11.060 1.00 41.21 H new ATOM 0 HG22 VAL A 32 -13.624 8.979 -12.358 1.00 41.21 H new ATOM 0 HG23 VAL A 32 -14.288 8.835 -10.713 1.00 41.21 H new ATOM 163 N LEU A 33 -14.170 5.774 -9.443 1.00 2.25 N ATOM 164 CA LEU A 33 -15.405 5.510 -8.713 1.00 55.25 C ATOM 165 C LEU A 33 -15.535 6.436 -7.508 1.00 22.31 C ATOM 166 O LEU A 33 -14.687 6.429 -6.614 1.00 55.15 O ATOM 167 CB LEU A 33 -15.450 4.051 -8.257 1.00 61.35 C ATOM 168 CG LEU A 33 -16.291 3.761 -7.014 1.00 1.43 C ATOM 169 CD1 LEU A 33 -17.720 4.241 -7.212 1.00 53.15 C ATOM 170 CD2 LEU A 33 -16.266 2.275 -6.687 1.00 3.55 C ATOM 0 H LEU A 33 -13.324 5.458 -8.968 1.00 2.25 H new ATOM 0 HA LEU A 33 -16.242 5.700 -9.385 1.00 55.25 H new ATOM 0 HB2 LEU A 33 -15.833 3.446 -9.079 1.00 61.35 H new ATOM 0 HB3 LEU A 33 -14.429 3.720 -8.066 1.00 61.35 H new ATOM 0 HG LEU A 33 -15.860 4.305 -6.173 1.00 1.43 H new ATOM 0 HD11 LEU A 33 -18.303 4.026 -6.317 1.00 53.15 H new ATOM 0 HD12 LEU A 33 -17.721 5.315 -7.396 1.00 53.15 H new ATOM 0 HD13 LEU A 33 -18.162 3.726 -8.065 1.00 53.15 H new ATOM 0 HD21 LEU A 33 -16.870 2.088 -5.799 1.00 3.55 H new ATOM 0 HD22 LEU A 33 -16.671 1.711 -7.527 1.00 3.55 H new ATOM 0 HD23 LEU A 33 -15.239 1.961 -6.500 1.00 3.55 H new ATOM 182 N ILE A 34 -16.601 7.228 -7.489 1.00 1.51 N ATOM 183 CA ILE A 34 -16.842 8.157 -6.391 1.00 74.24 C ATOM 184 C ILE A 34 -18.008 7.692 -5.525 1.00 22.03 C ATOM 185 O ILE A 34 -18.949 7.066 -6.013 1.00 61.51 O ATOM 186 CB ILE A 34 -17.137 9.577 -6.910 1.00 32.23 C ATOM 187 CG1 ILE A 34 -18.378 9.569 -7.805 1.00 42.12 C ATOM 188 CG2 ILE A 34 -15.936 10.125 -7.665 1.00 4.13 C ATOM 189 CD1 ILE A 34 -18.056 9.570 -9.283 1.00 71.23 C ATOM 0 H ILE A 34 -17.312 7.246 -8.221 1.00 1.51 H new ATOM 0 HA ILE A 34 -15.933 8.180 -5.791 1.00 74.24 H new ATOM 0 HB ILE A 34 -17.332 10.227 -6.057 1.00 32.23 H new ATOM 0 HG12 ILE A 34 -18.978 8.689 -7.573 1.00 42.12 H new ATOM 0 HG13 ILE A 34 -18.989 10.442 -7.574 1.00 42.12 H new ATOM 0 HG21 ILE A 34 -16.160 11.129 -8.025 1.00 4.13 H new ATOM 0 HG22 ILE A 34 -15.074 10.162 -6.999 1.00 4.13 H new ATOM 0 HG23 ILE A 34 -15.712 9.477 -8.512 1.00 4.13 H new ATOM 0 HD11 ILE A 34 -18.982 9.564 -9.857 1.00 71.23 H new ATOM 0 HD12 ILE A 34 -17.482 10.463 -9.530 1.00 71.23 H new ATOM 0 HD13 ILE A 34 -17.471 8.684 -9.529 1.00 71.23 H new ATOM 201 N THR A 35 -17.940 8.004 -4.234 1.00 40.42 N ATOM 202 CA THR A 35 -18.989 7.620 -3.299 1.00 31.24 C ATOM 203 C THR A 35 -19.226 8.710 -2.260 1.00 12.01 C ATOM 204 O THR A 35 -18.634 9.786 -2.330 1.00 12.13 O ATOM 205 CB THR A 35 -18.643 6.304 -2.576 1.00 3.53 C ATOM 206 OG1 THR A 35 -17.613 6.534 -1.607 1.00 53.12 O ATOM 207 CG2 THR A 35 -18.186 5.246 -3.568 1.00 25.11 C ATOM 0 H THR A 35 -17.169 8.522 -3.813 1.00 40.42 H new ATOM 0 HA THR A 35 -19.897 7.477 -3.885 1.00 31.24 H new ATOM 0 HB THR A 35 -19.541 5.944 -2.073 1.00 3.53 H new ATOM 0 HG1 THR A 35 -17.400 5.693 -1.150 1.00 53.12 H new ATOM 0 HG21 THR A 35 -17.947 4.326 -3.034 1.00 25.11 H new ATOM 0 HG22 THR A 35 -18.983 5.053 -4.286 1.00 25.11 H new ATOM 0 HG23 THR A 35 -17.300 5.600 -4.095 1.00 25.11 H new ATOM 215 N ASN A 36 -20.096 8.424 -1.296 1.00 63.22 N ATOM 216 CA ASN A 36 -20.411 9.381 -0.242 1.00 42.10 C ATOM 217 C ASN A 36 -20.985 10.667 -0.829 1.00 2.12 C ATOM 218 O ASN A 36 -20.670 11.765 -0.370 1.00 2.43 O ATOM 219 CB ASN A 36 -19.159 9.696 0.580 1.00 54.41 C ATOM 220 CG ASN A 36 -19.452 9.792 2.065 1.00 40.42 C ATOM 221 OD1 ASN A 36 -18.981 8.975 2.856 1.00 72.23 O ATOM 222 ND2 ASN A 36 -20.233 10.795 2.450 1.00 33.31 N ATOM 0 H ASN A 36 -20.595 7.537 -1.223 1.00 63.22 H new ATOM 0 HA ASN A 36 -21.162 8.933 0.409 1.00 42.10 H new ATOM 0 HB2 ASN A 36 -18.411 8.922 0.409 1.00 54.41 H new ATOM 0 HB3 ASN A 36 -18.729 10.636 0.236 1.00 54.41 H new ATOM 0 HD21 ASN A 36 -20.464 10.911 3.437 1.00 33.31 H new ATOM 0 HD22 ASN A 36 -20.601 11.449 1.759 1.00 33.31 H new ATOM 229 N ILE A 37 -21.829 10.522 -1.845 1.00 45.20 N ATOM 230 CA ILE A 37 -22.448 11.672 -2.493 1.00 63.41 C ATOM 231 C ILE A 37 -23.924 11.781 -2.126 1.00 62.51 C ATOM 232 O ILE A 37 -24.648 10.786 -2.123 1.00 2.03 O ATOM 233 CB ILE A 37 -22.316 11.593 -4.025 1.00 62.45 C ATOM 234 CG1 ILE A 37 -22.758 10.216 -4.527 1.00 0.40 C ATOM 235 CG2 ILE A 37 -20.884 11.882 -4.449 1.00 65.24 C ATOM 236 CD1 ILE A 37 -22.947 10.152 -6.026 1.00 65.35 C ATOM 0 H ILE A 37 -22.100 9.620 -2.237 1.00 45.20 H new ATOM 0 HA ILE A 37 -21.921 12.557 -2.136 1.00 63.41 H new ATOM 0 HB ILE A 37 -22.965 12.347 -4.470 1.00 62.45 H new ATOM 0 HG12 ILE A 37 -22.016 9.475 -4.230 1.00 0.40 H new ATOM 0 HG13 ILE A 37 -23.694 9.943 -4.039 1.00 0.40 H new ATOM 0 HG21 ILE A 37 -20.807 11.822 -5.535 1.00 65.24 H new ATOM 0 HG22 ILE A 37 -20.602 12.882 -4.120 1.00 65.24 H new ATOM 0 HG23 ILE A 37 -20.216 11.149 -3.997 1.00 65.24 H new ATOM 0 HD11 ILE A 37 -23.260 9.147 -6.311 1.00 65.35 H new ATOM 0 HD12 ILE A 37 -23.710 10.869 -6.327 1.00 65.35 H new ATOM 0 HD13 ILE A 37 -22.007 10.393 -6.522 1.00 65.35 H new ATOM 248 N ASN A 38 -24.363 12.997 -1.819 1.00 74.30 N ATOM 249 CA ASN A 38 -25.754 13.236 -1.452 1.00 13.43 C ATOM 250 C ASN A 38 -26.679 13.008 -2.644 1.00 2.13 C ATOM 251 O ASN A 38 -26.644 13.736 -3.636 1.00 71.22 O ATOM 252 CB ASN A 38 -25.926 14.663 -0.925 1.00 22.42 C ATOM 253 CG ASN A 38 -26.535 14.697 0.464 1.00 60.44 C ATOM 254 OD1 ASN A 38 -25.961 15.267 1.391 1.00 14.44 O ATOM 255 ND2 ASN A 38 -27.703 14.083 0.612 1.00 54.30 N ATOM 0 H ASN A 38 -23.776 13.831 -1.817 1.00 74.30 H new ATOM 0 HA ASN A 38 -26.022 12.530 -0.666 1.00 13.43 H new ATOM 0 HB2 ASN A 38 -24.956 15.160 -0.906 1.00 22.42 H new ATOM 0 HB3 ASN A 38 -26.559 15.227 -1.610 1.00 22.42 H new ATOM 0 HD21 ASN A 38 -28.161 14.071 1.523 1.00 54.30 H new ATOM 0 HD22 ASN A 38 -28.142 13.623 -0.186 1.00 54.30 H new ATOM 262 N PRO A 39 -27.527 11.974 -2.545 1.00 62.52 N ATOM 263 CA PRO A 39 -28.478 11.626 -3.605 1.00 63.22 C ATOM 264 C PRO A 39 -29.595 12.655 -3.742 1.00 63.33 C ATOM 265 O PRO A 39 -30.396 12.593 -4.674 1.00 71.10 O ATOM 266 CB PRO A 39 -29.044 10.280 -3.146 1.00 70.20 C ATOM 267 CG PRO A 39 -28.879 10.285 -1.665 1.00 73.34 C ATOM 268 CD PRO A 39 -27.623 11.064 -1.391 1.00 62.11 C ATOM 0 HA PRO A 39 -28.002 11.592 -4.585 1.00 63.22 H new ATOM 0 HB2 PRO A 39 -30.092 10.174 -3.427 1.00 70.20 H new ATOM 0 HB3 PRO A 39 -28.506 9.448 -3.601 1.00 70.20 H new ATOM 0 HG2 PRO A 39 -29.738 10.746 -1.178 1.00 73.34 H new ATOM 0 HG3 PRO A 39 -28.800 9.269 -1.278 1.00 73.34 H new ATOM 0 HD2 PRO A 39 -27.687 11.612 -0.451 1.00 62.11 H new ATOM 0 HD3 PRO A 39 -26.753 10.411 -1.320 1.00 62.11 H new ATOM 276 N GLU A 40 -29.641 13.600 -2.808 1.00 63.35 N ATOM 277 CA GLU A 40 -30.661 14.642 -2.827 1.00 24.44 C ATOM 278 C GLU A 40 -30.714 15.327 -4.189 1.00 75.31 C ATOM 279 O GLU A 40 -31.761 15.822 -4.607 1.00 34.14 O ATOM 280 CB GLU A 40 -30.384 15.676 -1.734 1.00 2.32 C ATOM 281 CG GLU A 40 -31.260 15.511 -0.503 1.00 51.55 C ATOM 282 CD GLU A 40 -31.653 16.839 0.115 1.00 53.02 C ATOM 283 OE1 GLU A 40 -30.868 17.803 0.002 1.00 65.22 O ATOM 284 OE2 GLU A 40 -32.748 16.914 0.712 1.00 61.33 O ATOM 0 H GLU A 40 -28.985 13.665 -2.030 1.00 63.35 H new ATOM 0 HA GLU A 40 -31.627 14.173 -2.638 1.00 24.44 H new ATOM 0 HB2 GLU A 40 -29.338 15.606 -1.437 1.00 2.32 H new ATOM 0 HB3 GLU A 40 -30.533 16.675 -2.144 1.00 2.32 H new ATOM 0 HG2 GLU A 40 -32.161 14.960 -0.774 1.00 51.55 H new ATOM 0 HG3 GLU A 40 -30.730 14.912 0.238 1.00 51.55 H new ATOM 291 N VAL A 41 -29.578 15.352 -4.878 1.00 23.43 N ATOM 292 CA VAL A 41 -29.494 15.975 -6.193 1.00 72.01 C ATOM 293 C VAL A 41 -29.629 14.938 -7.302 1.00 64.23 C ATOM 294 O VAL A 41 -29.012 13.873 -7.268 1.00 72.43 O ATOM 295 CB VAL A 41 -28.165 16.732 -6.372 1.00 10.41 C ATOM 296 CG1 VAL A 41 -26.985 15.802 -6.138 1.00 45.10 C ATOM 297 CG2 VAL A 41 -28.093 17.362 -7.755 1.00 23.41 C ATOM 0 H VAL A 41 -28.702 14.947 -4.547 1.00 23.43 H new ATOM 0 HA VAL A 41 -30.319 16.684 -6.260 1.00 72.01 H new ATOM 0 HB VAL A 41 -28.119 17.531 -5.632 1.00 10.41 H new ATOM 0 HG11 VAL A 41 -26.055 16.355 -6.269 1.00 45.10 H new ATOM 0 HG12 VAL A 41 -27.031 15.404 -5.124 1.00 45.10 H new ATOM 0 HG13 VAL A 41 -27.022 14.980 -6.853 1.00 45.10 H new ATOM 0 HG21 VAL A 41 -27.147 17.893 -7.864 1.00 23.41 H new ATOM 0 HG22 VAL A 41 -28.161 16.583 -8.514 1.00 23.41 H new ATOM 0 HG23 VAL A 41 -28.919 18.063 -7.879 1.00 23.41 H new ATOM 307 N PRO A 42 -30.454 15.254 -8.311 1.00 44.34 N ATOM 308 CA PRO A 42 -30.688 14.363 -9.452 1.00 1.14 C ATOM 309 C PRO A 42 -29.466 14.247 -10.357 1.00 35.31 C ATOM 310 O PRO A 42 -28.701 15.199 -10.510 1.00 21.32 O ATOM 311 CB PRO A 42 -31.843 15.036 -10.196 1.00 54.44 C ATOM 312 CG PRO A 42 -31.745 16.476 -9.827 1.00 3.15 C ATOM 313 CD PRO A 42 -31.221 16.507 -8.417 1.00 62.34 C ATOM 0 HA PRO A 42 -30.904 13.343 -9.135 1.00 1.14 H new ATOM 0 HB2 PRO A 42 -31.754 14.897 -11.273 1.00 54.44 H new ATOM 0 HB3 PRO A 42 -32.804 14.616 -9.898 1.00 54.44 H new ATOM 0 HG2 PRO A 42 -31.076 17.008 -10.504 1.00 3.15 H new ATOM 0 HG3 PRO A 42 -32.718 16.963 -9.893 1.00 3.15 H new ATOM 0 HD2 PRO A 42 -30.592 17.380 -8.241 1.00 62.34 H new ATOM 0 HD3 PRO A 42 -32.031 16.546 -7.688 1.00 62.34 H new ATOM 321 N LYS A 43 -29.290 13.074 -10.956 1.00 45.01 N ATOM 322 CA LYS A 43 -28.162 12.833 -11.848 1.00 60.44 C ATOM 323 C LYS A 43 -28.024 13.959 -12.867 1.00 44.24 C ATOM 324 O LYS A 43 -26.914 14.329 -13.249 1.00 40.24 O ATOM 325 CB LYS A 43 -28.335 11.495 -12.572 1.00 24.05 C ATOM 326 CG LYS A 43 -27.298 11.251 -13.655 1.00 33.02 C ATOM 327 CD LYS A 43 -27.565 9.954 -14.399 1.00 61.45 C ATOM 328 CE LYS A 43 -26.478 9.665 -15.424 1.00 10.43 C ATOM 329 NZ LYS A 43 -26.962 9.867 -16.818 1.00 20.24 N ATOM 0 H LYS A 43 -29.914 12.276 -10.840 1.00 45.01 H new ATOM 0 HA LYS A 43 -27.255 12.799 -11.245 1.00 60.44 H new ATOM 0 HB2 LYS A 43 -28.283 10.687 -11.842 1.00 24.05 H new ATOM 0 HB3 LYS A 43 -29.329 11.458 -13.018 1.00 24.05 H new ATOM 0 HG2 LYS A 43 -27.303 12.083 -14.359 1.00 33.02 H new ATOM 0 HG3 LYS A 43 -26.304 11.217 -13.208 1.00 33.02 H new ATOM 0 HD2 LYS A 43 -27.624 9.131 -13.687 1.00 61.45 H new ATOM 0 HD3 LYS A 43 -28.532 10.013 -14.899 1.00 61.45 H new ATOM 0 HE2 LYS A 43 -25.622 10.315 -15.239 1.00 10.43 H new ATOM 0 HE3 LYS A 43 -26.131 8.639 -15.305 1.00 10.43 H new ATOM 0 HZ1 LYS A 43 -26.192 9.660 -17.486 1.00 20.24 H new ATOM 0 HZ2 LYS A 43 -27.762 9.229 -17.003 1.00 20.24 H new ATOM 0 HZ3 LYS A 43 -27.270 10.853 -16.939 1.00 20.24 H new ATOM 343 N GLU A 44 -29.157 14.501 -13.302 1.00 33.22 N ATOM 344 CA GLU A 44 -29.161 15.586 -14.276 1.00 24.10 C ATOM 345 C GLU A 44 -28.271 16.736 -13.812 1.00 60.15 C ATOM 346 O GLU A 44 -27.409 17.208 -14.555 1.00 32.35 O ATOM 347 CB GLU A 44 -30.587 16.090 -14.506 1.00 3.43 C ATOM 348 CG GLU A 44 -30.940 16.269 -15.973 1.00 11.44 C ATOM 349 CD GLU A 44 -32.352 16.786 -16.174 1.00 24.31 C ATOM 350 OE1 GLU A 44 -32.722 17.773 -15.505 1.00 15.01 O ATOM 351 OE2 GLU A 44 -33.085 16.203 -16.999 1.00 71.23 O ATOM 0 H GLU A 44 -30.084 14.206 -12.995 1.00 33.22 H new ATOM 0 HA GLU A 44 -28.765 15.199 -15.215 1.00 24.10 H new ATOM 0 HB2 GLU A 44 -31.289 15.388 -14.055 1.00 3.43 H new ATOM 0 HB3 GLU A 44 -30.714 17.043 -13.992 1.00 3.43 H new ATOM 0 HG2 GLU A 44 -30.234 16.962 -16.431 1.00 11.44 H new ATOM 0 HG3 GLU A 44 -30.829 15.315 -16.489 1.00 11.44 H new ATOM 358 N LYS A 45 -28.487 17.183 -12.580 1.00 43.11 N ATOM 359 CA LYS A 45 -27.706 18.277 -12.015 1.00 43.10 C ATOM 360 C LYS A 45 -26.370 17.772 -11.478 1.00 74.32 C ATOM 361 O LYS A 45 -25.320 18.354 -11.751 1.00 24.22 O ATOM 362 CB LYS A 45 -28.490 18.966 -10.896 1.00 23.34 C ATOM 363 CG LYS A 45 -29.139 20.271 -11.322 1.00 2.12 C ATOM 364 CD LYS A 45 -30.582 20.063 -11.750 1.00 22.32 C ATOM 365 CE LYS A 45 -31.553 20.683 -10.757 1.00 42.21 C ATOM 366 NZ LYS A 45 -32.934 20.763 -11.308 1.00 40.01 N ATOM 0 H LYS A 45 -29.197 16.804 -11.953 1.00 43.11 H new ATOM 0 HA LYS A 45 -27.509 18.997 -12.809 1.00 43.10 H new ATOM 0 HB2 LYS A 45 -29.262 18.287 -10.534 1.00 23.34 H new ATOM 0 HB3 LYS A 45 -27.818 19.160 -10.060 1.00 23.34 H new ATOM 0 HG2 LYS A 45 -29.102 20.983 -10.497 1.00 2.12 H new ATOM 0 HG3 LYS A 45 -28.574 20.708 -12.145 1.00 2.12 H new ATOM 0 HD2 LYS A 45 -30.737 20.503 -12.735 1.00 22.32 H new ATOM 0 HD3 LYS A 45 -30.785 18.996 -11.841 1.00 22.32 H new ATOM 0 HE2 LYS A 45 -31.561 20.093 -9.840 1.00 42.21 H new ATOM 0 HE3 LYS A 45 -31.210 21.683 -10.490 1.00 42.21 H new ATOM 0 HZ1 LYS A 45 -33.565 21.191 -10.601 1.00 40.01 H new ATOM 0 HZ2 LYS A 45 -32.931 21.347 -12.169 1.00 40.01 H new ATOM 0 HZ3 LYS A 45 -33.271 19.807 -11.540 1.00 40.01 H new ATOM 380 N LEU A 46 -26.418 16.685 -10.715 1.00 42.15 N ATOM 381 CA LEU A 46 -25.211 16.100 -10.142 1.00 20.15 C ATOM 382 C LEU A 46 -24.156 15.863 -11.217 1.00 42.32 C ATOM 383 O LEU A 46 -23.050 16.397 -11.142 1.00 43.44 O ATOM 384 CB LEU A 46 -25.544 14.783 -9.439 1.00 23.42 C ATOM 385 CG LEU A 46 -24.381 13.807 -9.256 1.00 64.10 C ATOM 386 CD1 LEU A 46 -24.389 13.223 -7.852 1.00 34.02 C ATOM 387 CD2 LEU A 46 -24.446 12.699 -10.297 1.00 25.31 C ATOM 0 H LEU A 46 -27.279 16.192 -10.479 1.00 42.15 H new ATOM 0 HA LEU A 46 -24.808 16.803 -9.413 1.00 20.15 H new ATOM 0 HB2 LEU A 46 -25.957 15.013 -8.457 1.00 23.42 H new ATOM 0 HB3 LEU A 46 -26.328 14.280 -10.005 1.00 23.42 H new ATOM 0 HG LEU A 46 -23.448 14.354 -9.394 1.00 64.10 H new ATOM 0 HD11 LEU A 46 -23.554 12.531 -7.741 1.00 34.02 H new ATOM 0 HD12 LEU A 46 -24.293 14.027 -7.123 1.00 34.02 H new ATOM 0 HD13 LEU A 46 -25.326 12.691 -7.684 1.00 34.02 H new ATOM 0 HD21 LEU A 46 -23.611 12.014 -10.152 1.00 25.31 H new ATOM 0 HD22 LEU A 46 -25.384 12.155 -10.191 1.00 25.31 H new ATOM 0 HD23 LEU A 46 -24.389 13.134 -11.295 1.00 25.31 H new ATOM 399 N GLN A 47 -24.507 15.061 -12.217 1.00 51.22 N ATOM 400 CA GLN A 47 -23.590 14.756 -13.309 1.00 32.30 C ATOM 401 C GLN A 47 -22.993 16.032 -13.891 1.00 42.35 C ATOM 402 O GLN A 47 -21.785 16.121 -14.109 1.00 23.14 O ATOM 403 CB GLN A 47 -24.313 13.970 -14.405 1.00 5.30 C ATOM 404 CG GLN A 47 -23.372 13.309 -15.400 1.00 14.11 C ATOM 405 CD GLN A 47 -23.889 13.374 -16.823 1.00 54.25 C ATOM 406 OE1 GLN A 47 -24.197 14.451 -17.336 1.00 31.22 O ATOM 407 NE2 GLN A 47 -23.988 12.219 -17.471 1.00 43.22 N ATOM 0 H GLN A 47 -25.419 14.611 -12.294 1.00 51.22 H new ATOM 0 HA GLN A 47 -22.779 14.147 -12.910 1.00 32.30 H new ATOM 0 HB2 GLN A 47 -24.935 13.204 -13.942 1.00 5.30 H new ATOM 0 HB3 GLN A 47 -24.982 14.642 -14.942 1.00 5.30 H new ATOM 0 HG2 GLN A 47 -22.397 13.793 -15.349 1.00 14.11 H new ATOM 0 HG3 GLN A 47 -23.225 12.266 -15.118 1.00 14.11 H new ATOM 0 HE21 GLN A 47 -23.722 11.350 -17.008 1.00 43.22 H new ATOM 0 HE22 GLN A 47 -24.330 12.201 -18.432 1.00 43.22 H new ATOM 416 N ALA A 48 -23.847 17.019 -14.143 1.00 33.34 N ATOM 417 CA ALA A 48 -23.403 18.291 -14.698 1.00 75.15 C ATOM 418 C ALA A 48 -22.240 18.864 -13.897 1.00 1.23 C ATOM 419 O ALA A 48 -21.301 19.428 -14.461 1.00 73.44 O ATOM 420 CB ALA A 48 -24.558 19.281 -14.738 1.00 51.02 C ATOM 0 H ALA A 48 -24.851 16.961 -13.971 1.00 33.34 H new ATOM 0 HA ALA A 48 -23.055 18.113 -15.716 1.00 75.15 H new ATOM 0 HB1 ALA A 48 -24.212 20.227 -15.155 1.00 51.02 H new ATOM 0 HB2 ALA A 48 -25.358 18.881 -15.361 1.00 51.02 H new ATOM 0 HB3 ALA A 48 -24.932 19.445 -13.727 1.00 51.02 H new ATOM 426 N LEU A 49 -22.307 18.718 -12.578 1.00 54.11 N ATOM 427 CA LEU A 49 -21.259 19.222 -11.698 1.00 0.22 C ATOM 428 C LEU A 49 -20.004 18.362 -11.798 1.00 25.33 C ATOM 429 O LEU A 49 -18.892 18.878 -11.922 1.00 11.10 O ATOM 430 CB LEU A 49 -21.754 19.257 -10.251 1.00 23.43 C ATOM 431 CG LEU A 49 -21.826 20.638 -9.599 1.00 31.11 C ATOM 432 CD1 LEU A 49 -20.494 21.360 -9.729 1.00 30.04 C ATOM 433 CD2 LEU A 49 -22.945 21.462 -10.219 1.00 45.54 C ATOM 0 H LEU A 49 -23.076 18.255 -12.095 1.00 54.11 H new ATOM 0 HA LEU A 49 -21.009 20.235 -12.014 1.00 0.22 H new ATOM 0 HB2 LEU A 49 -22.747 18.809 -10.217 1.00 23.43 H new ATOM 0 HB3 LEU A 49 -21.099 18.627 -9.649 1.00 23.43 H new ATOM 0 HG LEU A 49 -22.042 20.508 -8.539 1.00 31.11 H new ATOM 0 HD11 LEU A 49 -20.565 22.341 -9.259 1.00 30.04 H new ATOM 0 HD12 LEU A 49 -19.715 20.777 -9.237 1.00 30.04 H new ATOM 0 HD13 LEU A 49 -20.247 21.480 -10.784 1.00 30.04 H new ATOM 0 HD21 LEU A 49 -22.982 22.442 -9.743 1.00 45.54 H new ATOM 0 HD22 LEU A 49 -22.759 21.584 -11.286 1.00 45.54 H new ATOM 0 HD23 LEU A 49 -23.897 20.951 -10.073 1.00 45.54 H new ATOM 445 N LEU A 50 -20.188 17.047 -11.745 1.00 0.22 N ATOM 446 CA LEU A 50 -19.070 16.114 -11.832 1.00 33.33 C ATOM 447 C LEU A 50 -18.247 16.366 -13.091 1.00 22.13 C ATOM 448 O LEU A 50 -17.028 16.190 -13.093 1.00 51.51 O ATOM 449 CB LEU A 50 -19.582 14.672 -11.824 1.00 13.34 C ATOM 450 CG LEU A 50 -20.523 14.300 -10.677 1.00 3.53 C ATOM 451 CD1 LEU A 50 -20.675 12.790 -10.580 1.00 14.52 C ATOM 452 CD2 LEU A 50 -20.013 14.872 -9.362 1.00 5.30 C ATOM 0 H LEU A 50 -21.101 16.603 -11.642 1.00 0.22 H new ATOM 0 HA LEU A 50 -18.430 16.271 -10.964 1.00 33.33 H new ATOM 0 HB2 LEU A 50 -20.098 14.486 -12.766 1.00 13.34 H new ATOM 0 HB3 LEU A 50 -18.722 14.003 -11.794 1.00 13.34 H new ATOM 0 HG LEU A 50 -21.503 14.731 -10.882 1.00 3.53 H new ATOM 0 HD11 LEU A 50 -21.348 12.544 -9.759 1.00 14.52 H new ATOM 0 HD12 LEU A 50 -21.086 12.405 -11.513 1.00 14.52 H new ATOM 0 HD13 LEU A 50 -19.700 12.337 -10.399 1.00 14.52 H new ATOM 0 HD21 LEU A 50 -20.695 14.598 -8.557 1.00 5.30 H new ATOM 0 HD22 LEU A 50 -19.022 14.471 -9.151 1.00 5.30 H new ATOM 0 HD23 LEU A 50 -19.957 15.958 -9.435 1.00 5.30 H new ATOM 464 N TYR A 51 -18.920 16.780 -14.158 1.00 41.13 N ATOM 465 CA TYR A 51 -18.251 17.057 -15.424 1.00 23.52 C ATOM 466 C TYR A 51 -17.449 18.352 -15.345 1.00 0.14 C ATOM 467 O TYR A 51 -16.284 18.399 -15.738 1.00 50.32 O ATOM 468 CB TYR A 51 -19.274 17.146 -16.557 1.00 71.42 C ATOM 469 CG TYR A 51 -18.667 16.997 -17.934 1.00 52.51 C ATOM 470 CD1 TYR A 51 -17.761 17.933 -18.420 1.00 34.24 C ATOM 471 CD2 TYR A 51 -19.000 15.923 -18.750 1.00 1.31 C ATOM 472 CE1 TYR A 51 -17.205 17.802 -19.677 1.00 42.22 C ATOM 473 CE2 TYR A 51 -18.447 15.784 -20.008 1.00 71.21 C ATOM 474 CZ TYR A 51 -17.550 16.726 -20.467 1.00 74.24 C ATOM 475 OH TYR A 51 -16.999 16.591 -21.721 1.00 4.22 O ATOM 0 H TYR A 51 -19.929 16.931 -14.172 1.00 41.13 H new ATOM 0 HA TYR A 51 -17.563 16.237 -15.629 1.00 23.52 H new ATOM 0 HB2 TYR A 51 -20.028 16.372 -16.416 1.00 71.42 H new ATOM 0 HB3 TYR A 51 -19.787 18.106 -16.497 1.00 71.42 H new ATOM 0 HD1 TYR A 51 -17.488 18.777 -17.804 1.00 34.24 H new ATOM 0 HD2 TYR A 51 -19.703 15.184 -18.395 1.00 1.31 H new ATOM 0 HE1 TYR A 51 -16.503 18.539 -20.040 1.00 42.22 H new ATOM 0 HE2 TYR A 51 -18.715 14.942 -20.629 1.00 71.21 H new ATOM 0 HH TYR A 51 -17.346 15.779 -22.145 1.00 4.22 H new ATOM 485 N ALA A 52 -18.083 19.402 -14.832 1.00 25.23 N ATOM 486 CA ALA A 52 -17.429 20.698 -14.697 1.00 70.24 C ATOM 487 C ALA A 52 -16.087 20.565 -13.985 1.00 71.24 C ATOM 488 O ALA A 52 -15.064 21.047 -14.473 1.00 24.23 O ATOM 489 CB ALA A 52 -18.331 21.669 -13.950 1.00 72.13 C ATOM 0 H ALA A 52 -19.048 19.380 -14.503 1.00 25.23 H new ATOM 0 HA ALA A 52 -17.242 21.089 -15.697 1.00 70.24 H new ATOM 0 HB1 ALA A 52 -17.830 22.633 -13.856 1.00 72.13 H new ATOM 0 HB2 ALA A 52 -19.263 21.797 -14.500 1.00 72.13 H new ATOM 0 HB3 ALA A 52 -18.547 21.275 -12.957 1.00 72.13 H new ATOM 495 N LEU A 53 -16.098 19.909 -12.830 1.00 52.31 N ATOM 496 CA LEU A 53 -14.881 19.713 -12.050 1.00 12.42 C ATOM 497 C LEU A 53 -13.906 18.797 -12.782 1.00 54.03 C ATOM 498 O LEU A 53 -12.704 19.055 -12.818 1.00 42.51 O ATOM 499 CB LEU A 53 -15.220 19.125 -10.679 1.00 1.30 C ATOM 500 CG LEU A 53 -16.389 19.777 -9.939 1.00 62.12 C ATOM 501 CD1 LEU A 53 -16.739 18.983 -8.690 1.00 2.41 C ATOM 502 CD2 LEU A 53 -16.057 21.218 -9.582 1.00 41.42 C ATOM 0 H LEU A 53 -16.936 19.504 -12.413 1.00 52.31 H new ATOM 0 HA LEU A 53 -14.405 20.684 -11.915 1.00 12.42 H new ATOM 0 HB2 LEU A 53 -15.442 18.065 -10.805 1.00 1.30 H new ATOM 0 HB3 LEU A 53 -14.334 19.192 -10.048 1.00 1.30 H new ATOM 0 HG LEU A 53 -17.257 19.778 -10.599 1.00 62.12 H new ATOM 0 HD11 LEU A 53 -17.573 19.462 -8.176 1.00 2.41 H new ATOM 0 HD12 LEU A 53 -17.020 17.968 -8.971 1.00 2.41 H new ATOM 0 HD13 LEU A 53 -15.875 18.949 -8.026 1.00 2.41 H new ATOM 0 HD21 LEU A 53 -16.900 21.666 -9.056 1.00 41.42 H new ATOM 0 HD22 LEU A 53 -15.176 21.240 -8.941 1.00 41.42 H new ATOM 0 HD23 LEU A 53 -15.857 21.782 -10.493 1.00 41.42 H new ATOM 514 N ALA A 54 -14.434 17.727 -13.367 1.00 32.41 N ATOM 515 CA ALA A 54 -13.612 16.774 -14.102 1.00 45.23 C ATOM 516 C ALA A 54 -12.826 17.468 -15.210 1.00 71.11 C ATOM 517 O ALA A 54 -11.604 17.343 -15.289 1.00 70.04 O ATOM 518 CB ALA A 54 -14.478 15.665 -14.682 1.00 3.54 C ATOM 0 H ALA A 54 -15.428 17.498 -13.346 1.00 32.41 H new ATOM 0 HA ALA A 54 -12.898 16.335 -13.405 1.00 45.23 H new ATOM 0 HB1 ALA A 54 -13.850 14.961 -15.228 1.00 3.54 H new ATOM 0 HB2 ALA A 54 -14.990 15.143 -13.874 1.00 3.54 H new ATOM 0 HB3 ALA A 54 -15.215 16.096 -15.360 1.00 3.54 H new ATOM 524 N SER A 55 -13.536 18.199 -16.064 1.00 22.30 N ATOM 525 CA SER A 55 -12.905 18.909 -17.170 1.00 60.35 C ATOM 526 C SER A 55 -11.816 19.848 -16.662 1.00 45.25 C ATOM 527 O SER A 55 -10.815 20.080 -17.341 1.00 2.24 O ATOM 528 CB SER A 55 -13.950 19.701 -17.958 1.00 75.52 C ATOM 529 OG SER A 55 -13.574 19.829 -19.318 1.00 55.15 O ATOM 0 H SER A 55 -14.548 18.315 -16.011 1.00 22.30 H new ATOM 0 HA SER A 55 -12.446 18.171 -17.828 1.00 60.35 H new ATOM 0 HB2 SER A 55 -14.917 19.202 -17.890 1.00 75.52 H new ATOM 0 HB3 SER A 55 -14.070 20.690 -17.516 1.00 75.52 H new ATOM 0 HG SER A 55 -14.259 20.337 -19.800 1.00 55.15 H new ATOM 535 N SER A 56 -12.018 20.386 -15.464 1.00 53.10 N ATOM 536 CA SER A 56 -11.056 21.304 -14.865 1.00 71.32 C ATOM 537 C SER A 56 -9.684 20.648 -14.742 1.00 71.12 C ATOM 538 O SER A 56 -8.661 21.330 -14.692 1.00 12.31 O ATOM 539 CB SER A 56 -11.542 21.758 -13.488 1.00 10.24 C ATOM 540 OG SER A 56 -11.354 23.152 -13.315 1.00 11.11 O ATOM 0 H SER A 56 -12.840 20.202 -14.888 1.00 53.10 H new ATOM 0 HA SER A 56 -10.967 22.174 -15.516 1.00 71.32 H new ATOM 0 HB2 SER A 56 -12.598 21.513 -13.373 1.00 10.24 H new ATOM 0 HB3 SER A 56 -11.002 21.216 -12.711 1.00 10.24 H new ATOM 0 HG SER A 56 -11.674 23.418 -12.428 1.00 11.11 H new ATOM 546 N GLN A 57 -9.672 19.320 -14.694 1.00 72.33 N ATOM 547 CA GLN A 57 -8.426 18.571 -14.576 1.00 54.24 C ATOM 548 C GLN A 57 -8.121 17.815 -15.866 1.00 13.55 C ATOM 549 O GLN A 57 -7.246 18.209 -16.635 1.00 62.21 O ATOM 550 CB GLN A 57 -8.504 17.592 -13.404 1.00 11.34 C ATOM 551 CG GLN A 57 -8.602 18.273 -12.048 1.00 44.41 C ATOM 552 CD GLN A 57 -7.243 18.584 -11.452 1.00 42.30 C ATOM 553 OE1 GLN A 57 -6.353 17.734 -11.429 1.00 63.24 O ATOM 554 NE2 GLN A 57 -7.076 19.808 -10.965 1.00 43.41 N ATOM 0 H GLN A 57 -10.510 18.741 -14.735 1.00 72.33 H new ATOM 0 HA GLN A 57 -7.620 19.282 -14.393 1.00 54.24 H new ATOM 0 HB2 GLN A 57 -9.370 16.944 -13.539 1.00 11.34 H new ATOM 0 HB3 GLN A 57 -7.622 16.952 -13.417 1.00 11.34 H new ATOM 0 HG2 GLN A 57 -9.170 19.198 -12.150 1.00 44.41 H new ATOM 0 HG3 GLN A 57 -9.157 17.632 -11.363 1.00 44.41 H new ATOM 0 HE21 GLN A 57 -7.841 20.481 -11.005 1.00 43.41 H new ATOM 0 HE22 GLN A 57 -6.183 20.075 -10.551 1.00 43.41 H new ATOM 563 N GLY A 58 -8.850 16.727 -16.095 1.00 10.15 N ATOM 564 CA GLY A 58 -8.642 15.933 -17.291 1.00 43.23 C ATOM 565 C GLY A 58 -9.891 15.831 -18.144 1.00 22.11 C ATOM 566 O GLY A 58 -10.981 16.202 -17.708 1.00 5.34 O ATOM 0 H GLY A 58 -9.581 16.382 -15.473 1.00 10.15 H new ATOM 0 HA2 GLY A 58 -7.838 16.374 -17.881 1.00 43.23 H new ATOM 0 HA3 GLY A 58 -8.317 14.932 -17.007 1.00 43.23 H new ATOM 570 N ASP A 59 -9.733 15.328 -19.363 1.00 73.42 N ATOM 571 CA ASP A 59 -10.858 15.178 -20.280 1.00 4.22 C ATOM 572 C ASP A 59 -11.754 14.019 -19.856 1.00 30.02 C ATOM 573 O ASP A 59 -11.275 13.007 -19.344 1.00 33.34 O ATOM 574 CB ASP A 59 -10.354 14.954 -21.706 1.00 43.25 C ATOM 575 CG ASP A 59 -9.651 16.173 -22.271 1.00 13.55 C ATOM 576 OD1 ASP A 59 -10.275 17.255 -22.305 1.00 1.24 O ATOM 577 OD2 ASP A 59 -8.478 16.046 -22.677 1.00 44.31 O ATOM 0 H ASP A 59 -8.837 15.017 -19.740 1.00 73.42 H new ATOM 0 HA ASP A 59 -11.444 16.096 -20.250 1.00 4.22 H new ATOM 0 HB2 ASP A 59 -9.669 14.106 -21.717 1.00 43.25 H new ATOM 0 HB3 ASP A 59 -11.195 14.693 -22.348 1.00 43.25 H new ATOM 582 N ILE A 60 -13.056 14.175 -20.072 1.00 22.13 N ATOM 583 CA ILE A 60 -14.018 13.141 -19.712 1.00 15.32 C ATOM 584 C ILE A 60 -14.559 12.438 -20.952 1.00 70.21 C ATOM 585 O ILE A 60 -14.939 13.084 -21.930 1.00 23.42 O ATOM 586 CB ILE A 60 -15.198 13.724 -18.911 1.00 42.52 C ATOM 587 CG1 ILE A 60 -14.687 14.455 -17.668 1.00 22.13 C ATOM 588 CG2 ILE A 60 -16.171 12.621 -18.522 1.00 3.50 C ATOM 589 CD1 ILE A 60 -14.520 15.945 -17.868 1.00 33.12 C ATOM 0 H ILE A 60 -13.468 15.007 -20.494 1.00 22.13 H new ATOM 0 HA ILE A 60 -13.488 12.420 -19.090 1.00 15.32 H new ATOM 0 HB ILE A 60 -15.726 14.441 -19.540 1.00 42.52 H new ATOM 0 HG12 ILE A 60 -15.380 14.283 -16.845 1.00 22.13 H new ATOM 0 HG13 ILE A 60 -13.729 14.027 -17.373 1.00 22.13 H new ATOM 0 HG21 ILE A 60 -16.999 13.049 -17.957 1.00 3.50 H new ATOM 0 HG22 ILE A 60 -16.556 12.141 -19.422 1.00 3.50 H new ATOM 0 HG23 ILE A 60 -15.656 11.882 -17.908 1.00 3.50 H new ATOM 0 HD11 ILE A 60 -14.155 16.397 -16.946 1.00 33.12 H new ATOM 0 HD12 ILE A 60 -13.804 16.127 -18.669 1.00 33.12 H new ATOM 0 HD13 ILE A 60 -15.481 16.386 -18.133 1.00 33.12 H new ATOM 601 N LEU A 61 -14.593 11.111 -20.905 1.00 62.40 N ATOM 602 CA LEU A 61 -15.089 10.318 -22.024 1.00 72.34 C ATOM 603 C LEU A 61 -16.535 9.892 -21.791 1.00 72.12 C ATOM 604 O LEU A 61 -17.280 9.644 -22.739 1.00 73.43 O ATOM 605 CB LEU A 61 -14.209 9.084 -22.231 1.00 32.31 C ATOM 606 CG LEU A 61 -12.708 9.288 -22.026 1.00 43.32 C ATOM 607 CD1 LEU A 61 -11.941 8.030 -22.404 1.00 52.42 C ATOM 608 CD2 LEU A 61 -12.216 10.478 -22.837 1.00 52.52 C ATOM 0 H LEU A 61 -14.283 10.561 -20.104 1.00 62.40 H new ATOM 0 HA LEU A 61 -15.052 10.937 -22.920 1.00 72.34 H new ATOM 0 HB2 LEU A 61 -14.546 8.304 -21.548 1.00 32.31 H new ATOM 0 HB3 LEU A 61 -14.370 8.713 -23.243 1.00 32.31 H new ATOM 0 HG LEU A 61 -12.530 9.494 -20.971 1.00 43.32 H new ATOM 0 HD11 LEU A 61 -10.874 8.195 -22.251 1.00 52.42 H new ATOM 0 HD12 LEU A 61 -12.273 7.200 -21.780 1.00 52.42 H new ATOM 0 HD13 LEU A 61 -12.125 7.793 -23.452 1.00 52.42 H new ATOM 0 HD21 LEU A 61 -11.145 10.608 -22.679 1.00 52.52 H new ATOM 0 HD22 LEU A 61 -12.408 10.301 -23.895 1.00 52.52 H new ATOM 0 HD23 LEU A 61 -12.742 11.378 -22.518 1.00 52.52 H new ATOM 620 N ASP A 62 -16.926 9.812 -20.524 1.00 24.40 N ATOM 621 CA ASP A 62 -18.284 9.419 -20.166 1.00 3.13 C ATOM 622 C ASP A 62 -18.464 9.407 -18.651 1.00 30.50 C ATOM 623 O ASP A 62 -17.718 8.740 -17.933 1.00 3.40 O ATOM 624 CB ASP A 62 -18.608 8.040 -20.742 1.00 24.21 C ATOM 625 CG ASP A 62 -19.806 7.399 -20.070 1.00 70.32 C ATOM 626 OD1 ASP A 62 -20.899 8.002 -20.105 1.00 73.22 O ATOM 627 OD2 ASP A 62 -19.651 6.294 -19.510 1.00 61.53 O ATOM 0 H ASP A 62 -16.322 10.014 -19.727 1.00 24.40 H new ATOM 0 HA ASP A 62 -18.972 10.151 -20.590 1.00 3.13 H new ATOM 0 HB2 ASP A 62 -18.801 8.132 -21.811 1.00 24.21 H new ATOM 0 HB3 ASP A 62 -17.741 7.389 -20.629 1.00 24.21 H new ATOM 632 N ILE A 63 -19.458 10.147 -18.172 1.00 42.44 N ATOM 633 CA ILE A 63 -19.735 10.221 -16.743 1.00 54.04 C ATOM 634 C ILE A 63 -20.955 9.383 -16.377 1.00 15.14 C ATOM 635 O ILE A 63 -22.082 9.709 -16.752 1.00 63.11 O ATOM 636 CB ILE A 63 -19.969 11.674 -16.289 1.00 53.05 C ATOM 637 CG1 ILE A 63 -18.768 12.547 -16.659 1.00 60.53 C ATOM 638 CG2 ILE A 63 -20.227 11.726 -14.791 1.00 71.20 C ATOM 639 CD1 ILE A 63 -18.907 13.986 -16.214 1.00 64.43 C ATOM 0 H ILE A 63 -20.085 10.704 -18.753 1.00 42.44 H new ATOM 0 HA ILE A 63 -18.858 9.826 -16.230 1.00 54.04 H new ATOM 0 HB ILE A 63 -20.848 12.062 -16.803 1.00 53.05 H new ATOM 0 HG12 ILE A 63 -17.869 12.122 -16.212 1.00 60.53 H new ATOM 0 HG13 ILE A 63 -18.630 12.521 -17.740 1.00 60.53 H new ATOM 0 HG21 ILE A 63 -20.390 12.759 -14.486 1.00 71.20 H new ATOM 0 HG22 ILE A 63 -21.110 11.133 -14.553 1.00 71.20 H new ATOM 0 HG23 ILE A 63 -19.365 11.323 -14.259 1.00 71.20 H new ATOM 0 HD11 ILE A 63 -18.020 14.546 -16.510 1.00 64.43 H new ATOM 0 HD12 ILE A 63 -19.787 14.428 -16.681 1.00 64.43 H new ATOM 0 HD13 ILE A 63 -19.015 14.023 -15.130 1.00 64.43 H new ATOM 651 N VAL A 64 -20.724 8.302 -15.639 1.00 21.04 N ATOM 652 CA VAL A 64 -21.804 7.418 -15.218 1.00 32.14 C ATOM 653 C VAL A 64 -22.248 7.732 -13.793 1.00 64.21 C ATOM 654 O VAL A 64 -21.440 8.128 -12.953 1.00 2.11 O ATOM 655 CB VAL A 64 -21.383 5.939 -15.298 1.00 64.31 C ATOM 656 CG1 VAL A 64 -22.539 5.032 -14.906 1.00 60.42 C ATOM 657 CG2 VAL A 64 -20.881 5.603 -16.695 1.00 2.45 C ATOM 0 H VAL A 64 -19.798 8.017 -15.320 1.00 21.04 H new ATOM 0 HA VAL A 64 -22.636 7.589 -15.901 1.00 32.14 H new ATOM 0 HB VAL A 64 -20.568 5.773 -14.594 1.00 64.31 H new ATOM 0 HG11 VAL A 64 -22.222 3.991 -14.969 1.00 60.42 H new ATOM 0 HG12 VAL A 64 -22.848 5.256 -13.885 1.00 60.42 H new ATOM 0 HG13 VAL A 64 -23.377 5.198 -15.583 1.00 60.42 H new ATOM 0 HG21 VAL A 64 -20.588 4.554 -16.734 1.00 2.45 H new ATOM 0 HG22 VAL A 64 -21.674 5.785 -17.420 1.00 2.45 H new ATOM 0 HG23 VAL A 64 -20.021 6.229 -16.933 1.00 2.45 H new ATOM 667 N VAL A 65 -23.538 7.551 -13.527 1.00 44.54 N ATOM 668 CA VAL A 65 -24.089 7.814 -12.204 1.00 34.34 C ATOM 669 C VAL A 65 -25.134 6.769 -11.827 1.00 1.22 C ATOM 670 O VAL A 65 -25.974 6.393 -12.645 1.00 24.13 O ATOM 671 CB VAL A 65 -24.729 9.213 -12.129 1.00 44.11 C ATOM 672 CG1 VAL A 65 -25.325 9.455 -10.751 1.00 1.31 C ATOM 673 CG2 VAL A 65 -23.705 10.285 -12.472 1.00 61.10 C ATOM 0 H VAL A 65 -24.220 7.223 -14.211 1.00 44.54 H new ATOM 0 HA VAL A 65 -23.258 7.765 -11.500 1.00 34.34 H new ATOM 0 HB VAL A 65 -25.535 9.265 -12.861 1.00 44.11 H new ATOM 0 HG11 VAL A 65 -25.772 10.448 -10.717 1.00 1.31 H new ATOM 0 HG12 VAL A 65 -26.090 8.705 -10.549 1.00 1.31 H new ATOM 0 HG13 VAL A 65 -24.540 9.385 -9.998 1.00 1.31 H new ATOM 0 HG21 VAL A 65 -24.174 11.267 -12.414 1.00 61.10 H new ATOM 0 HG22 VAL A 65 -22.876 10.236 -11.765 1.00 61.10 H new ATOM 0 HG23 VAL A 65 -23.330 10.120 -13.482 1.00 61.10 H new ATOM 683 N ASP A 66 -25.076 6.305 -10.584 1.00 33.25 N ATOM 684 CA ASP A 66 -26.019 5.304 -10.097 1.00 4.03 C ATOM 685 C ASP A 66 -27.447 5.837 -10.139 1.00 34.00 C ATOM 686 O ASP A 66 -27.726 6.845 -10.790 1.00 34.03 O ATOM 687 CB ASP A 66 -25.659 4.885 -8.670 1.00 53.52 C ATOM 688 CG ASP A 66 -25.873 6.003 -7.668 1.00 24.31 C ATOM 689 OD1 ASP A 66 -26.058 7.159 -8.100 1.00 12.40 O ATOM 690 OD2 ASP A 66 -25.853 5.721 -6.451 1.00 60.42 O ATOM 0 H ASP A 66 -24.386 6.605 -9.895 1.00 33.25 H new ATOM 0 HA ASP A 66 -25.956 4.433 -10.750 1.00 4.03 H new ATOM 0 HB2 ASP A 66 -26.263 4.024 -8.384 1.00 53.52 H new ATOM 0 HB3 ASP A 66 -24.617 4.568 -8.639 1.00 53.52 H new ATOM 695 N LEU A 67 -28.349 5.154 -9.442 1.00 61.25 N ATOM 696 CA LEU A 67 -29.750 5.558 -9.401 1.00 32.41 C ATOM 697 C LEU A 67 -30.015 6.485 -8.219 1.00 21.41 C ATOM 698 O LEU A 67 -31.157 6.651 -7.791 1.00 71.21 O ATOM 699 CB LEU A 67 -30.654 4.327 -9.311 1.00 24.44 C ATOM 700 CG LEU A 67 -30.240 3.264 -8.292 1.00 62.42 C ATOM 701 CD1 LEU A 67 -29.187 2.339 -8.884 1.00 34.22 C ATOM 702 CD2 LEU A 67 -29.723 3.917 -7.019 1.00 11.40 C ATOM 0 H LEU A 67 -28.135 4.318 -8.898 1.00 61.25 H new ATOM 0 HA LEU A 67 -29.974 6.099 -10.321 1.00 32.41 H new ATOM 0 HB2 LEU A 67 -31.664 4.659 -9.070 1.00 24.44 H new ATOM 0 HB3 LEU A 67 -30.698 3.861 -10.295 1.00 24.44 H new ATOM 0 HG LEU A 67 -31.118 2.669 -8.040 1.00 62.42 H new ATOM 0 HD11 LEU A 67 -28.904 1.589 -8.145 1.00 34.22 H new ATOM 0 HD12 LEU A 67 -29.592 1.844 -9.767 1.00 34.22 H new ATOM 0 HD13 LEU A 67 -28.309 2.920 -9.165 1.00 34.22 H new ATOM 0 HD21 LEU A 67 -29.433 3.145 -6.306 1.00 11.40 H new ATOM 0 HD22 LEU A 67 -28.858 4.537 -7.254 1.00 11.40 H new ATOM 0 HD23 LEU A 67 -30.507 4.537 -6.584 1.00 11.40 H new ATOM 714 N SER A 68 -28.952 7.088 -7.697 1.00 23.22 N ATOM 715 CA SER A 68 -29.069 7.997 -6.563 1.00 2.40 C ATOM 716 C SER A 68 -29.901 7.371 -5.448 1.00 5.12 C ATOM 717 O SER A 68 -30.930 7.914 -5.046 1.00 43.31 O ATOM 718 CB SER A 68 -29.700 9.319 -7.005 1.00 74.32 C ATOM 719 OG SER A 68 -29.952 10.161 -5.894 1.00 3.13 O ATOM 0 H SER A 68 -28.000 6.964 -8.041 1.00 23.22 H new ATOM 0 HA SER A 68 -28.067 8.191 -6.180 1.00 2.40 H new ATOM 0 HB2 SER A 68 -29.037 9.826 -7.706 1.00 74.32 H new ATOM 0 HB3 SER A 68 -30.632 9.121 -7.534 1.00 74.32 H new ATOM 0 HG SER A 68 -30.645 9.759 -5.329 1.00 3.13 H new ATOM 725 N ASP A 69 -29.447 6.225 -4.952 1.00 43.14 N ATOM 726 CA ASP A 69 -30.147 5.524 -3.883 1.00 31.23 C ATOM 727 C ASP A 69 -30.234 6.391 -2.631 1.00 32.25 C ATOM 728 O ASP A 69 -29.920 7.581 -2.664 1.00 71.33 O ATOM 729 CB ASP A 69 -29.440 4.207 -3.558 1.00 44.23 C ATOM 730 CG ASP A 69 -30.353 3.007 -3.709 1.00 32.32 C ATOM 731 OD1 ASP A 69 -31.556 3.134 -3.399 1.00 34.34 O ATOM 732 OD2 ASP A 69 -29.865 1.940 -4.137 1.00 51.45 O ATOM 0 H ASP A 69 -28.597 5.762 -5.274 1.00 43.14 H new ATOM 0 HA ASP A 69 -31.159 5.309 -4.226 1.00 31.23 H new ATOM 0 HB2 ASP A 69 -28.578 4.089 -4.215 1.00 44.23 H new ATOM 0 HB3 ASP A 69 -29.060 4.244 -2.537 1.00 44.23 H new ATOM 737 N ASP A 70 -30.663 5.787 -1.528 1.00 34.11 N ATOM 738 CA ASP A 70 -30.792 6.504 -0.264 1.00 71.44 C ATOM 739 C ASP A 70 -29.695 6.087 0.711 1.00 50.55 C ATOM 740 O ASP A 70 -29.404 6.797 1.672 1.00 11.13 O ATOM 741 CB ASP A 70 -32.167 6.246 0.355 1.00 64.10 C ATOM 742 CG ASP A 70 -33.135 7.386 0.110 1.00 51.21 C ATOM 743 OD1 ASP A 70 -33.505 7.609 -1.062 1.00 53.20 O ATOM 744 OD2 ASP A 70 -33.523 8.055 1.090 1.00 55.20 O ATOM 0 H ASP A 70 -30.927 4.803 -1.483 1.00 34.11 H new ATOM 0 HA ASP A 70 -30.688 7.570 -0.466 1.00 71.44 H new ATOM 0 HB2 ASP A 70 -32.581 5.326 -0.058 1.00 64.10 H new ATOM 0 HB3 ASP A 70 -32.056 6.092 1.428 1.00 64.10 H new ATOM 749 N ASN A 71 -29.091 4.932 0.455 1.00 24.41 N ATOM 750 CA ASN A 71 -28.027 4.420 1.311 1.00 25.12 C ATOM 751 C ASN A 71 -26.745 4.198 0.513 1.00 13.31 C ATOM 752 O ASN A 71 -25.687 3.927 1.081 1.00 73.23 O ATOM 753 CB ASN A 71 -28.461 3.111 1.973 1.00 33.21 C ATOM 754 CG ASN A 71 -27.358 2.491 2.809 1.00 41.22 C ATOM 755 OD1 ASN A 71 -26.858 1.411 2.494 1.00 1.05 O ATOM 756 ND2 ASN A 71 -26.973 3.175 3.880 1.00 20.55 N ATOM 0 H ASN A 71 -29.320 4.333 -0.338 1.00 24.41 H new ATOM 0 HA ASN A 71 -27.829 5.162 2.084 1.00 25.12 H new ATOM 0 HB2 ASN A 71 -29.330 3.297 2.604 1.00 33.21 H new ATOM 0 HB3 ASN A 71 -28.771 2.404 1.204 1.00 33.21 H new ATOM 0 HD21 ASN A 71 -26.234 2.809 4.480 1.00 20.55 H new ATOM 0 HD22 ASN A 71 -27.416 4.066 4.102 1.00 20.55 H new ATOM 763 N SER A 72 -26.849 4.317 -0.807 1.00 22.22 N ATOM 764 CA SER A 72 -25.699 4.126 -1.684 1.00 15.52 C ATOM 765 C SER A 72 -25.123 5.469 -2.124 1.00 14.04 C ATOM 766 O SER A 72 -24.062 5.883 -1.661 1.00 5.23 O ATOM 767 CB SER A 72 -26.098 3.303 -2.910 1.00 41.33 C ATOM 768 OG SER A 72 -25.455 2.041 -2.908 1.00 24.41 O ATOM 0 H SER A 72 -27.717 4.545 -1.292 1.00 22.22 H new ATOM 0 HA SER A 72 -24.933 3.587 -1.127 1.00 15.52 H new ATOM 0 HB2 SER A 72 -27.179 3.164 -2.922 1.00 41.33 H new ATOM 0 HB3 SER A 72 -25.836 3.847 -3.818 1.00 41.33 H new ATOM 0 HG SER A 72 -25.728 1.534 -3.701 1.00 24.41 H new ATOM 774 N GLY A 73 -25.833 6.145 -3.022 1.00 34.00 N ATOM 775 CA GLY A 73 -25.378 7.433 -3.510 1.00 51.43 C ATOM 776 C GLY A 73 -23.934 7.402 -3.970 1.00 72.24 C ATOM 777 O GLY A 73 -23.020 7.673 -3.191 1.00 70.15 O ATOM 0 H GLY A 73 -26.715 5.823 -3.420 1.00 34.00 H new ATOM 0 HA2 GLY A 73 -26.013 7.749 -4.338 1.00 51.43 H new ATOM 0 HA3 GLY A 73 -25.489 8.177 -2.721 1.00 51.43 H new ATOM 781 N LYS A 74 -23.727 7.068 -5.240 1.00 5.23 N ATOM 782 CA LYS A 74 -22.384 7.001 -5.804 1.00 3.02 C ATOM 783 C LYS A 74 -22.415 7.226 -7.312 1.00 73.01 C ATOM 784 O LYS A 74 -23.479 7.426 -7.897 1.00 73.21 O ATOM 785 CB LYS A 74 -21.745 5.646 -5.493 1.00 22.41 C ATOM 786 CG LYS A 74 -22.552 4.462 -5.998 1.00 51.44 C ATOM 787 CD LYS A 74 -21.799 3.155 -5.817 1.00 40.21 C ATOM 788 CE LYS A 74 -22.676 2.091 -5.177 1.00 35.34 C ATOM 789 NZ LYS A 74 -21.876 0.939 -4.677 1.00 62.43 N ATOM 0 H LYS A 74 -24.472 6.840 -5.898 1.00 5.23 H new ATOM 0 HA LYS A 74 -21.786 7.791 -5.349 1.00 3.02 H new ATOM 0 HB2 LYS A 74 -20.750 5.613 -5.937 1.00 22.41 H new ATOM 0 HB3 LYS A 74 -21.616 5.554 -4.415 1.00 22.41 H new ATOM 0 HG2 LYS A 74 -23.501 4.413 -5.464 1.00 51.44 H new ATOM 0 HG3 LYS A 74 -22.787 4.604 -7.053 1.00 51.44 H new ATOM 0 HD2 LYS A 74 -21.444 2.801 -6.785 1.00 40.21 H new ATOM 0 HD3 LYS A 74 -20.919 3.324 -5.197 1.00 40.21 H new ATOM 0 HE2 LYS A 74 -23.235 2.530 -4.351 1.00 35.34 H new ATOM 0 HE3 LYS A 74 -23.407 1.737 -5.904 1.00 35.34 H new ATOM 0 HZ1 LYS A 74 -22.511 0.236 -4.248 1.00 62.43 H new ATOM 0 HZ2 LYS A 74 -21.362 0.504 -5.469 1.00 62.43 H new ATOM 0 HZ3 LYS A 74 -21.196 1.272 -3.964 1.00 62.43 H new ATOM 803 N ALA A 75 -21.242 7.191 -7.936 1.00 32.42 N ATOM 804 CA ALA A 75 -21.137 7.387 -9.376 1.00 43.13 C ATOM 805 C ALA A 75 -19.739 7.039 -9.877 1.00 30.11 C ATOM 806 O ALA A 75 -18.872 6.641 -9.099 1.00 5.42 O ATOM 807 CB ALA A 75 -21.488 8.822 -9.740 1.00 45.23 C ATOM 0 H ALA A 75 -20.351 7.029 -7.466 1.00 32.42 H new ATOM 0 HA ALA A 75 -21.846 6.717 -9.862 1.00 43.13 H new ATOM 0 HB1 ALA A 75 -21.405 8.954 -10.819 1.00 45.23 H new ATOM 0 HB2 ALA A 75 -22.509 9.038 -9.425 1.00 45.23 H new ATOM 0 HB3 ALA A 75 -20.801 9.503 -9.237 1.00 45.23 H new ATOM 813 N TYR A 76 -19.528 7.190 -11.180 1.00 2.05 N ATOM 814 CA TYR A 76 -18.236 6.888 -11.784 1.00 42.34 C ATOM 815 C TYR A 76 -17.922 7.865 -12.914 1.00 23.23 C ATOM 816 O TYR A 76 -18.725 8.053 -13.828 1.00 11.13 O ATOM 817 CB TYR A 76 -18.220 5.454 -12.316 1.00 54.21 C ATOM 818 CG TYR A 76 -19.029 4.489 -11.479 1.00 11.33 C ATOM 819 CD1 TYR A 76 -20.392 4.326 -11.693 1.00 60.42 C ATOM 820 CD2 TYR A 76 -18.430 3.740 -10.473 1.00 44.35 C ATOM 821 CE1 TYR A 76 -21.135 3.446 -10.930 1.00 24.30 C ATOM 822 CE2 TYR A 76 -19.164 2.857 -9.706 1.00 71.13 C ATOM 823 CZ TYR A 76 -20.516 2.714 -9.938 1.00 32.50 C ATOM 824 OH TYR A 76 -21.252 1.835 -9.176 1.00 73.15 O ATOM 0 H TYR A 76 -20.235 7.520 -11.838 1.00 2.05 H new ATOM 0 HA TYR A 76 -17.471 6.991 -11.015 1.00 42.34 H new ATOM 0 HB2 TYR A 76 -18.606 5.449 -13.336 1.00 54.21 H new ATOM 0 HB3 TYR A 76 -17.189 5.104 -12.364 1.00 54.21 H new ATOM 0 HD1 TYR A 76 -20.879 4.897 -12.469 1.00 60.42 H new ATOM 0 HD2 TYR A 76 -17.372 3.851 -10.288 1.00 44.35 H new ATOM 0 HE1 TYR A 76 -22.194 3.332 -11.109 1.00 24.30 H new ATOM 0 HE2 TYR A 76 -18.682 2.282 -8.929 1.00 71.13 H new ATOM 0 HH TYR A 76 -20.666 1.398 -8.523 1.00 73.15 H new ATOM 834 N ILE A 77 -16.747 8.482 -12.843 1.00 54.53 N ATOM 835 CA ILE A 77 -16.325 9.438 -13.860 1.00 13.12 C ATOM 836 C ILE A 77 -15.204 8.866 -14.720 1.00 62.12 C ATOM 837 O ILE A 77 -14.090 8.648 -14.243 1.00 71.21 O ATOM 838 CB ILE A 77 -15.849 10.759 -13.227 1.00 41.14 C ATOM 839 CG1 ILE A 77 -16.866 11.252 -12.197 1.00 14.43 C ATOM 840 CG2 ILE A 77 -15.625 11.811 -14.304 1.00 25.24 C ATOM 841 CD1 ILE A 77 -16.473 12.554 -11.534 1.00 40.35 C ATOM 0 H ILE A 77 -16.071 8.337 -12.093 1.00 54.53 H new ATOM 0 HA ILE A 77 -17.194 9.637 -14.487 1.00 13.12 H new ATOM 0 HB ILE A 77 -14.902 10.581 -12.717 1.00 41.14 H new ATOM 0 HG12 ILE A 77 -17.832 11.379 -12.685 1.00 14.43 H new ATOM 0 HG13 ILE A 77 -16.994 10.488 -11.431 1.00 14.43 H new ATOM 0 HG21 ILE A 77 -15.289 12.739 -13.842 1.00 25.24 H new ATOM 0 HG22 ILE A 77 -14.867 11.459 -15.004 1.00 25.24 H new ATOM 0 HG23 ILE A 77 -16.558 11.989 -14.838 1.00 25.24 H new ATOM 0 HD11 ILE A 77 -17.240 12.843 -10.816 1.00 40.35 H new ATOM 0 HD12 ILE A 77 -15.522 12.426 -11.017 1.00 40.35 H new ATOM 0 HD13 ILE A 77 -16.373 13.332 -12.291 1.00 40.35 H new ATOM 853 N VAL A 78 -15.505 8.626 -15.993 1.00 10.34 N ATOM 854 CA VAL A 78 -14.522 8.082 -16.922 1.00 3.24 C ATOM 855 C VAL A 78 -13.687 9.192 -17.551 1.00 13.22 C ATOM 856 O VAL A 78 -14.225 10.134 -18.133 1.00 14.21 O ATOM 857 CB VAL A 78 -15.197 7.266 -18.040 1.00 13.24 C ATOM 858 CG1 VAL A 78 -14.156 6.517 -18.858 1.00 34.05 C ATOM 859 CG2 VAL A 78 -16.220 6.305 -17.453 1.00 62.52 C ATOM 0 H VAL A 78 -16.422 8.800 -16.404 1.00 10.34 H new ATOM 0 HA VAL A 78 -13.872 7.425 -16.345 1.00 3.24 H new ATOM 0 HB VAL A 78 -15.719 7.954 -18.705 1.00 13.24 H new ATOM 0 HG11 VAL A 78 -14.652 5.946 -19.643 1.00 34.05 H new ATOM 0 HG12 VAL A 78 -13.466 7.230 -19.309 1.00 34.05 H new ATOM 0 HG13 VAL A 78 -13.603 5.837 -18.209 1.00 34.05 H new ATOM 0 HG21 VAL A 78 -16.688 5.736 -18.257 1.00 62.52 H new ATOM 0 HG22 VAL A 78 -15.723 5.621 -16.765 1.00 62.52 H new ATOM 0 HG23 VAL A 78 -16.983 6.869 -16.916 1.00 62.52 H new ATOM 869 N PHE A 79 -12.369 9.075 -17.431 1.00 31.55 N ATOM 870 CA PHE A 79 -11.459 10.068 -17.987 1.00 42.53 C ATOM 871 C PHE A 79 -10.725 9.513 -19.204 1.00 70.33 C ATOM 872 O PHE A 79 -10.926 8.362 -19.591 1.00 65.21 O ATOM 873 CB PHE A 79 -10.449 10.515 -16.929 1.00 5.53 C ATOM 874 CG PHE A 79 -11.021 11.468 -15.918 1.00 42.24 C ATOM 875 CD1 PHE A 79 -11.076 12.827 -16.182 1.00 1.33 C ATOM 876 CD2 PHE A 79 -11.503 11.005 -14.705 1.00 73.50 C ATOM 877 CE1 PHE A 79 -11.602 13.707 -15.254 1.00 73.22 C ATOM 878 CE2 PHE A 79 -12.031 11.879 -13.774 1.00 51.10 C ATOM 879 CZ PHE A 79 -12.080 13.232 -14.048 1.00 65.14 C ATOM 0 H PHE A 79 -11.907 8.301 -16.953 1.00 31.55 H new ATOM 0 HA PHE A 79 -12.050 10.928 -18.302 1.00 42.53 H new ATOM 0 HB2 PHE A 79 -10.065 9.636 -16.411 1.00 5.53 H new ATOM 0 HB3 PHE A 79 -9.602 10.989 -17.425 1.00 5.53 H new ATOM 0 HD1 PHE A 79 -10.704 13.203 -17.123 1.00 1.33 H new ATOM 0 HD2 PHE A 79 -11.466 9.948 -14.484 1.00 73.50 H new ATOM 0 HE1 PHE A 79 -11.639 14.764 -15.472 1.00 73.22 H new ATOM 0 HE2 PHE A 79 -12.405 11.504 -12.833 1.00 51.10 H new ATOM 0 HZ PHE A 79 -12.491 13.917 -13.321 1.00 65.14 H new ATOM 889 N ALA A 80 -9.875 10.340 -19.804 1.00 24.45 N ATOM 890 CA ALA A 80 -9.110 9.932 -20.975 1.00 64.52 C ATOM 891 C ALA A 80 -8.148 8.798 -20.636 1.00 32.44 C ATOM 892 O ALA A 80 -7.974 7.862 -21.417 1.00 32.42 O ATOM 893 CB ALA A 80 -8.348 11.118 -21.548 1.00 33.11 C ATOM 0 H ALA A 80 -9.699 11.297 -19.498 1.00 24.45 H new ATOM 0 HA ALA A 80 -9.811 9.567 -21.726 1.00 64.52 H new ATOM 0 HB1 ALA A 80 -7.781 10.798 -22.422 1.00 33.11 H new ATOM 0 HB2 ALA A 80 -9.053 11.898 -21.838 1.00 33.11 H new ATOM 0 HB3 ALA A 80 -7.664 11.509 -20.795 1.00 33.11 H new ATOM 899 N THR A 81 -7.524 8.887 -19.465 1.00 14.30 N ATOM 900 CA THR A 81 -6.579 7.870 -19.023 1.00 10.12 C ATOM 901 C THR A 81 -6.242 8.037 -17.546 1.00 13.55 C ATOM 902 O THR A 81 -6.593 9.044 -16.930 1.00 51.05 O ATOM 903 CB THR A 81 -5.276 7.919 -19.843 1.00 53.33 C ATOM 904 OG1 THR A 81 -5.363 8.945 -20.839 1.00 4.25 O ATOM 905 CG2 THR A 81 -5.007 6.579 -20.511 1.00 45.41 C ATOM 0 H THR A 81 -7.657 9.654 -18.806 1.00 14.30 H new ATOM 0 HA THR A 81 -7.060 6.904 -19.176 1.00 10.12 H new ATOM 0 HB THR A 81 -4.453 8.141 -19.164 1.00 53.33 H new ATOM 0 HG1 THR A 81 -4.530 8.971 -21.355 1.00 4.25 H new ATOM 0 HG21 THR A 81 -4.082 6.638 -21.084 1.00 45.41 H new ATOM 0 HG22 THR A 81 -4.913 5.805 -19.749 1.00 45.41 H new ATOM 0 HG23 THR A 81 -5.833 6.333 -21.179 1.00 45.41 H new ATOM 913 N GLN A 82 -5.560 7.045 -16.983 1.00 0.42 N ATOM 914 CA GLN A 82 -5.176 7.084 -15.577 1.00 12.24 C ATOM 915 C GLN A 82 -4.448 8.383 -15.247 1.00 21.12 C ATOM 916 O GLN A 82 -4.510 8.870 -14.119 1.00 11.53 O ATOM 917 CB GLN A 82 -4.288 5.887 -15.235 1.00 60.53 C ATOM 918 CG GLN A 82 -4.510 5.345 -13.832 1.00 61.35 C ATOM 919 CD GLN A 82 -3.334 5.607 -12.913 1.00 2.24 C ATOM 920 OE1 GLN A 82 -2.695 4.676 -12.422 1.00 45.11 O ATOM 921 NE2 GLN A 82 -3.041 6.880 -12.674 1.00 15.34 N ATOM 0 H GLN A 82 -5.262 6.205 -17.479 1.00 0.42 H new ATOM 0 HA GLN A 82 -6.085 7.036 -14.977 1.00 12.24 H new ATOM 0 HB2 GLN A 82 -4.472 5.091 -15.956 1.00 60.53 H new ATOM 0 HB3 GLN A 82 -3.243 6.178 -15.342 1.00 60.53 H new ATOM 0 HG2 GLN A 82 -5.406 5.800 -13.408 1.00 61.35 H new ATOM 0 HG3 GLN A 82 -4.692 4.272 -13.886 1.00 61.35 H new ATOM 0 HE21 GLN A 82 -3.597 7.620 -13.102 1.00 15.34 H new ATOM 0 HE22 GLN A 82 -2.260 7.117 -12.063 1.00 15.34 H new ATOM 930 N GLU A 83 -3.758 8.937 -16.239 1.00 1.23 N ATOM 931 CA GLU A 83 -3.017 10.179 -16.052 1.00 43.01 C ATOM 932 C GLU A 83 -3.946 11.306 -15.610 1.00 61.02 C ATOM 933 O GLU A 83 -3.672 12.004 -14.634 1.00 32.44 O ATOM 934 CB GLU A 83 -2.301 10.571 -17.346 1.00 51.25 C ATOM 935 CG GLU A 83 -0.830 10.190 -17.368 1.00 53.52 C ATOM 936 CD GLU A 83 0.007 11.044 -16.436 1.00 1.12 C ATOM 937 OE1 GLU A 83 -0.492 12.096 -15.985 1.00 44.54 O ATOM 938 OE2 GLU A 83 1.162 10.659 -16.157 1.00 31.15 O ATOM 0 H GLU A 83 -3.697 8.546 -17.179 1.00 1.23 H new ATOM 0 HA GLU A 83 -2.275 10.015 -15.270 1.00 43.01 H new ATOM 0 HB2 GLU A 83 -2.804 10.095 -18.188 1.00 51.25 H new ATOM 0 HB3 GLU A 83 -2.391 11.648 -17.489 1.00 51.25 H new ATOM 0 HG2 GLU A 83 -0.726 9.142 -17.087 1.00 53.52 H new ATOM 0 HG3 GLU A 83 -0.448 10.287 -18.384 1.00 53.52 H new ATOM 945 N SER A 84 -5.045 11.478 -16.337 1.00 73.10 N ATOM 946 CA SER A 84 -6.013 12.522 -16.024 1.00 13.54 C ATOM 947 C SER A 84 -6.812 12.165 -14.774 1.00 14.31 C ATOM 948 O SER A 84 -7.003 12.997 -13.887 1.00 53.02 O ATOM 949 CB SER A 84 -6.962 12.739 -17.204 1.00 44.44 C ATOM 950 OG SER A 84 -6.532 13.823 -18.011 1.00 35.32 O ATOM 0 H SER A 84 -5.287 10.908 -17.147 1.00 73.10 H new ATOM 0 HA SER A 84 -5.465 13.445 -15.833 1.00 13.54 H new ATOM 0 HB2 SER A 84 -7.013 11.831 -17.805 1.00 44.44 H new ATOM 0 HB3 SER A 84 -7.969 12.934 -16.834 1.00 44.44 H new ATOM 0 HG SER A 84 -7.154 13.941 -18.759 1.00 35.32 H new ATOM 956 N ALA A 85 -7.277 10.922 -14.712 1.00 31.23 N ATOM 957 CA ALA A 85 -8.054 10.453 -13.571 1.00 23.40 C ATOM 958 C ALA A 85 -7.319 10.715 -12.261 1.00 44.30 C ATOM 959 O ALA A 85 -7.848 11.369 -11.363 1.00 31.34 O ATOM 960 CB ALA A 85 -8.363 8.970 -13.717 1.00 22.02 C ATOM 0 H ALA A 85 -7.129 10.221 -15.438 1.00 31.23 H new ATOM 0 HA ALA A 85 -8.992 11.008 -13.549 1.00 23.40 H new ATOM 0 HB1 ALA A 85 -8.944 8.633 -12.858 1.00 22.02 H new ATOM 0 HB2 ALA A 85 -8.936 8.806 -14.629 1.00 22.02 H new ATOM 0 HB3 ALA A 85 -7.431 8.407 -13.768 1.00 22.02 H new ATOM 966 N GLN A 86 -6.097 10.201 -12.160 1.00 10.50 N ATOM 967 CA GLN A 86 -5.291 10.380 -10.958 1.00 44.23 C ATOM 968 C GLN A 86 -5.104 11.861 -10.643 1.00 64.34 C ATOM 969 O GLN A 86 -5.036 12.254 -9.479 1.00 74.13 O ATOM 970 CB GLN A 86 -3.928 9.707 -11.128 1.00 62.44 C ATOM 971 CG GLN A 86 -2.985 9.938 -9.959 1.00 22.34 C ATOM 972 CD GLN A 86 -1.941 10.997 -10.251 1.00 44.02 C ATOM 973 OE1 GLN A 86 -2.122 11.838 -11.132 1.00 73.45 O ATOM 974 NE2 GLN A 86 -0.838 10.962 -9.511 1.00 54.54 N ATOM 0 H GLN A 86 -5.644 9.658 -12.895 1.00 10.50 H new ATOM 0 HA GLN A 86 -5.818 9.914 -10.125 1.00 44.23 H new ATOM 0 HB2 GLN A 86 -4.075 8.635 -11.259 1.00 62.44 H new ATOM 0 HB3 GLN A 86 -3.460 10.078 -12.040 1.00 62.44 H new ATOM 0 HG2 GLN A 86 -3.563 10.235 -9.084 1.00 22.34 H new ATOM 0 HG3 GLN A 86 -2.487 9.001 -9.709 1.00 22.34 H new ATOM 0 HE21 GLN A 86 -0.729 10.247 -8.791 1.00 54.54 H new ATOM 0 HE22 GLN A 86 -0.100 11.650 -9.663 1.00 54.54 H new ATOM 983 N ALA A 87 -5.020 12.677 -11.689 1.00 21.12 N ATOM 984 CA ALA A 87 -4.842 14.114 -11.523 1.00 53.25 C ATOM 985 C ALA A 87 -6.047 14.740 -10.830 1.00 14.12 C ATOM 986 O ALA A 87 -5.898 15.541 -9.906 1.00 73.34 O ATOM 987 CB ALA A 87 -4.606 14.775 -12.873 1.00 45.52 C ATOM 0 H ALA A 87 -5.072 12.367 -12.659 1.00 21.12 H new ATOM 0 HA ALA A 87 -3.968 14.277 -10.892 1.00 53.25 H new ATOM 0 HB1 ALA A 87 -4.475 15.848 -12.735 1.00 45.52 H new ATOM 0 HB2 ALA A 87 -3.710 14.356 -13.332 1.00 45.52 H new ATOM 0 HB3 ALA A 87 -5.464 14.595 -13.521 1.00 45.52 H new ATOM 993 N PHE A 88 -7.242 14.371 -11.281 1.00 23.22 N ATOM 994 CA PHE A 88 -8.473 14.898 -10.704 1.00 71.32 C ATOM 995 C PHE A 88 -8.745 14.273 -9.339 1.00 0.23 C ATOM 996 O PHE A 88 -9.239 14.937 -8.427 1.00 75.23 O ATOM 997 CB PHE A 88 -9.653 14.635 -11.642 1.00 14.22 C ATOM 998 CG PHE A 88 -10.988 14.952 -11.029 1.00 44.52 C ATOM 999 CD1 PHE A 88 -11.667 14.001 -10.285 1.00 4.44 C ATOM 1000 CD2 PHE A 88 -11.563 16.202 -11.198 1.00 24.24 C ATOM 1001 CE1 PHE A 88 -12.895 14.291 -9.721 1.00 22.33 C ATOM 1002 CE2 PHE A 88 -12.790 16.497 -10.636 1.00 34.04 C ATOM 1003 CZ PHE A 88 -13.457 15.540 -9.895 1.00 42.33 C ATOM 0 H PHE A 88 -7.384 13.709 -12.044 1.00 23.22 H new ATOM 0 HA PHE A 88 -8.353 15.974 -10.574 1.00 71.32 H new ATOM 0 HB2 PHE A 88 -9.527 15.230 -12.547 1.00 14.22 H new ATOM 0 HB3 PHE A 88 -9.640 13.588 -11.944 1.00 14.22 H new ATOM 0 HD1 PHE A 88 -11.232 13.023 -10.144 1.00 4.44 H new ATOM 0 HD2 PHE A 88 -11.046 16.954 -11.776 1.00 24.24 H new ATOM 0 HE1 PHE A 88 -13.415 13.541 -9.144 1.00 22.33 H new ATOM 0 HE2 PHE A 88 -13.228 17.474 -10.776 1.00 34.04 H new ATOM 0 HZ PHE A 88 -14.416 15.769 -9.453 1.00 42.33 H new ATOM 1013 N VAL A 89 -8.419 12.992 -9.205 1.00 64.52 N ATOM 1014 CA VAL A 89 -8.627 12.276 -7.952 1.00 4.21 C ATOM 1015 C VAL A 89 -7.775 12.868 -6.834 1.00 33.51 C ATOM 1016 O VAL A 89 -8.237 13.018 -5.703 1.00 42.43 O ATOM 1017 CB VAL A 89 -8.294 10.779 -8.098 1.00 55.32 C ATOM 1018 CG1 VAL A 89 -8.407 10.074 -6.755 1.00 63.44 C ATOM 1019 CG2 VAL A 89 -9.206 10.130 -9.129 1.00 3.12 C ATOM 0 H VAL A 89 -8.009 12.428 -9.950 1.00 64.52 H new ATOM 0 HA VAL A 89 -9.682 12.382 -7.698 1.00 4.21 H new ATOM 0 HB VAL A 89 -7.265 10.684 -8.445 1.00 55.32 H new ATOM 0 HG11 VAL A 89 -8.168 9.018 -6.877 1.00 63.44 H new ATOM 0 HG12 VAL A 89 -7.710 10.524 -6.048 1.00 63.44 H new ATOM 0 HG13 VAL A 89 -9.424 10.175 -6.376 1.00 63.44 H new ATOM 0 HG21 VAL A 89 -8.958 9.073 -9.220 1.00 3.12 H new ATOM 0 HG22 VAL A 89 -10.244 10.233 -8.813 1.00 3.12 H new ATOM 0 HG23 VAL A 89 -9.070 10.619 -10.094 1.00 3.12 H new ATOM 1029 N GLU A 90 -6.530 13.201 -7.159 1.00 11.02 N ATOM 1030 CA GLU A 90 -5.614 13.776 -6.181 1.00 31.03 C ATOM 1031 C GLU A 90 -5.852 15.276 -6.028 1.00 71.52 C ATOM 1032 O GLU A 90 -5.539 15.862 -4.993 1.00 14.24 O ATOM 1033 CB GLU A 90 -4.164 13.518 -6.594 1.00 44.22 C ATOM 1034 CG GLU A 90 -3.669 14.447 -7.690 1.00 41.11 C ATOM 1035 CD GLU A 90 -2.857 15.607 -7.149 1.00 4.43 C ATOM 1036 OE1 GLU A 90 -1.736 15.366 -6.653 1.00 1.00 O ATOM 1037 OE2 GLU A 90 -3.341 16.756 -7.220 1.00 40.04 O ATOM 0 H GLU A 90 -6.133 13.083 -8.091 1.00 11.02 H new ATOM 0 HA GLU A 90 -5.801 13.296 -5.220 1.00 31.03 H new ATOM 0 HB2 GLU A 90 -3.521 13.626 -5.720 1.00 44.22 H new ATOM 0 HB3 GLU A 90 -4.070 12.487 -6.934 1.00 44.22 H new ATOM 0 HG2 GLU A 90 -3.061 13.880 -8.394 1.00 41.11 H new ATOM 0 HG3 GLU A 90 -4.523 14.834 -8.246 1.00 41.11 H new ATOM 1044 N ALA A 91 -6.407 15.889 -7.068 1.00 53.30 N ATOM 1045 CA ALA A 91 -6.689 17.319 -7.050 1.00 2.41 C ATOM 1046 C ALA A 91 -7.917 17.626 -6.200 1.00 10.41 C ATOM 1047 O ALA A 91 -8.084 18.745 -5.714 1.00 53.31 O ATOM 1048 CB ALA A 91 -6.883 17.837 -8.467 1.00 42.05 C ATOM 0 H ALA A 91 -6.670 15.418 -7.934 1.00 53.30 H new ATOM 0 HA ALA A 91 -5.834 17.827 -6.603 1.00 2.41 H new ATOM 0 HB1 ALA A 91 -7.093 18.906 -8.438 1.00 42.05 H new ATOM 0 HB2 ALA A 91 -5.977 17.661 -9.046 1.00 42.05 H new ATOM 0 HB3 ALA A 91 -7.719 17.316 -8.934 1.00 42.05 H new ATOM 1054 N PHE A 92 -8.775 16.626 -6.025 1.00 5.44 N ATOM 1055 CA PHE A 92 -9.989 16.791 -5.234 1.00 70.52 C ATOM 1056 C PHE A 92 -10.055 15.754 -4.116 1.00 63.14 C ATOM 1057 O PHE A 92 -11.063 15.641 -3.420 1.00 60.10 O ATOM 1058 CB PHE A 92 -11.225 16.672 -6.129 1.00 22.35 C ATOM 1059 CG PHE A 92 -11.428 17.856 -7.030 1.00 73.53 C ATOM 1060 CD1 PHE A 92 -10.515 18.146 -8.031 1.00 70.32 C ATOM 1061 CD2 PHE A 92 -12.533 18.678 -6.877 1.00 62.25 C ATOM 1062 CE1 PHE A 92 -10.700 19.235 -8.862 1.00 24.23 C ATOM 1063 CE2 PHE A 92 -12.723 19.768 -7.705 1.00 41.34 C ATOM 1064 CZ PHE A 92 -11.805 20.046 -8.699 1.00 54.45 C ATOM 0 H PHE A 92 -8.652 15.694 -6.420 1.00 5.44 H new ATOM 0 HA PHE A 92 -9.968 17.784 -4.784 1.00 70.52 H new ATOM 0 HB2 PHE A 92 -11.137 15.772 -6.738 1.00 22.35 H new ATOM 0 HB3 PHE A 92 -12.108 16.547 -5.502 1.00 22.35 H new ATOM 0 HD1 PHE A 92 -9.649 17.514 -8.163 1.00 70.32 H new ATOM 0 HD2 PHE A 92 -13.254 18.464 -6.102 1.00 62.25 H new ATOM 0 HE1 PHE A 92 -9.981 19.451 -9.638 1.00 24.23 H new ATOM 0 HE2 PHE A 92 -13.588 20.402 -7.575 1.00 41.34 H new ATOM 0 HZ PHE A 92 -11.952 20.897 -9.348 1.00 54.45 H new ATOM 1074 N GLN A 93 -8.973 15.000 -3.953 1.00 24.34 N ATOM 1075 CA GLN A 93 -8.908 13.972 -2.921 1.00 23.52 C ATOM 1076 C GLN A 93 -9.382 14.517 -1.578 1.00 55.11 C ATOM 1077 O GLN A 93 -9.986 13.798 -0.783 1.00 52.10 O ATOM 1078 CB GLN A 93 -7.480 13.438 -2.792 1.00 1.02 C ATOM 1079 CG GLN A 93 -7.244 12.631 -1.525 1.00 41.32 C ATOM 1080 CD GLN A 93 -8.153 11.422 -1.425 1.00 50.25 C ATOM 1081 OE1 GLN A 93 -8.276 10.644 -2.372 1.00 23.45 O ATOM 1082 NE2 GLN A 93 -8.797 11.258 -0.276 1.00 3.44 N ATOM 0 H GLN A 93 -8.130 15.081 -4.522 1.00 24.34 H new ATOM 0 HA GLN A 93 -9.569 13.156 -3.215 1.00 23.52 H new ATOM 0 HB2 GLN A 93 -7.255 12.814 -3.657 1.00 1.02 H new ATOM 0 HB3 GLN A 93 -6.784 14.277 -2.814 1.00 1.02 H new ATOM 0 HG2 GLN A 93 -6.205 12.303 -1.496 1.00 41.32 H new ATOM 0 HG3 GLN A 93 -7.400 13.271 -0.657 1.00 41.32 H new ATOM 0 HE21 GLN A 93 -8.665 11.927 0.482 1.00 3.44 H new ATOM 0 HE22 GLN A 93 -9.423 10.463 -0.151 1.00 3.44 H new ATOM 1091 N GLY A 94 -9.105 15.794 -1.332 1.00 22.12 N ATOM 1092 CA GLY A 94 -9.510 16.414 -0.084 1.00 34.00 C ATOM 1093 C GLY A 94 -10.142 17.776 -0.292 1.00 11.12 C ATOM 1094 O GLY A 94 -9.589 18.795 0.124 1.00 62.45 O ATOM 0 H GLY A 94 -8.607 16.410 -1.975 1.00 22.12 H new ATOM 0 HA2 GLY A 94 -10.218 15.763 0.429 1.00 34.00 H new ATOM 0 HA3 GLY A 94 -8.641 16.515 0.567 1.00 34.00 H new ATOM 1098 N TYR A 95 -11.303 17.796 -0.938 1.00 23.34 N ATOM 1099 CA TYR A 95 -12.008 19.044 -1.204 1.00 32.33 C ATOM 1100 C TYR A 95 -13.501 18.896 -0.925 1.00 22.24 C ATOM 1101 O TYR A 95 -14.135 17.910 -1.303 1.00 2.53 O ATOM 1102 CB TYR A 95 -11.790 19.478 -2.654 1.00 2.20 C ATOM 1103 CG TYR A 95 -12.600 20.692 -3.051 1.00 62.30 C ATOM 1104 CD1 TYR A 95 -13.913 20.563 -3.485 1.00 14.32 C ATOM 1105 CD2 TYR A 95 -12.051 21.967 -2.991 1.00 53.03 C ATOM 1106 CE1 TYR A 95 -14.657 21.669 -3.849 1.00 44.22 C ATOM 1107 CE2 TYR A 95 -12.788 23.079 -3.352 1.00 64.24 C ATOM 1108 CZ TYR A 95 -14.089 22.925 -3.781 1.00 75.31 C ATOM 1109 OH TYR A 95 -14.827 24.029 -4.142 1.00 10.01 O ATOM 0 H TYR A 95 -11.775 16.962 -1.287 1.00 23.34 H new ATOM 0 HA TYR A 95 -11.606 19.808 -0.539 1.00 32.33 H new ATOM 0 HB2 TYR A 95 -10.732 19.692 -2.805 1.00 2.20 H new ATOM 0 HB3 TYR A 95 -12.045 18.649 -3.315 1.00 2.20 H new ATOM 0 HD1 TYR A 95 -14.360 19.581 -3.539 1.00 14.32 H new ATOM 0 HD2 TYR A 95 -11.032 22.091 -2.657 1.00 53.03 H new ATOM 0 HE1 TYR A 95 -15.677 21.551 -4.185 1.00 44.22 H new ATOM 0 HE2 TYR A 95 -12.347 24.063 -3.298 1.00 64.24 H new ATOM 0 HH TYR A 95 -14.282 24.836 -4.036 1.00 10.01 H new ATOM 1119 N PRO A 96 -14.077 19.900 -0.247 1.00 30.54 N ATOM 1120 CA PRO A 96 -15.502 19.907 0.098 1.00 22.40 C ATOM 1121 C PRO A 96 -16.393 20.091 -1.125 1.00 73.33 C ATOM 1122 O PRO A 96 -16.488 21.187 -1.678 1.00 3.03 O ATOM 1123 CB PRO A 96 -15.633 21.106 1.041 1.00 62.45 C ATOM 1124 CG PRO A 96 -14.506 22.006 0.667 1.00 30.22 C ATOM 1125 CD PRO A 96 -13.382 21.105 0.235 1.00 11.02 C ATOM 0 HA PRO A 96 -15.819 18.963 0.541 1.00 22.40 H new ATOM 0 HB2 PRO A 96 -16.595 21.604 0.918 1.00 62.45 H new ATOM 0 HB3 PRO A 96 -15.565 20.798 2.084 1.00 62.45 H new ATOM 0 HG2 PRO A 96 -14.796 22.681 -0.138 1.00 30.22 H new ATOM 0 HG3 PRO A 96 -14.206 22.627 1.511 1.00 30.22 H new ATOM 0 HD2 PRO A 96 -12.779 21.562 -0.550 1.00 11.02 H new ATOM 0 HD3 PRO A 96 -12.709 20.877 1.062 1.00 11.02 H new ATOM 1133 N PHE A 97 -17.046 19.012 -1.544 1.00 31.41 N ATOM 1134 CA PHE A 97 -17.930 19.054 -2.703 1.00 11.41 C ATOM 1135 C PHE A 97 -19.327 18.560 -2.340 1.00 31.41 C ATOM 1136 O PHE A 97 -19.483 17.496 -1.740 1.00 51.40 O ATOM 1137 CB PHE A 97 -17.356 18.207 -3.840 1.00 51.03 C ATOM 1138 CG PHE A 97 -18.337 17.946 -4.947 1.00 33.50 C ATOM 1139 CD1 PHE A 97 -18.514 18.867 -5.966 1.00 50.13 C ATOM 1140 CD2 PHE A 97 -19.083 16.778 -4.968 1.00 14.14 C ATOM 1141 CE1 PHE A 97 -19.416 18.629 -6.986 1.00 42.44 C ATOM 1142 CE2 PHE A 97 -19.986 16.535 -5.985 1.00 73.33 C ATOM 1143 CZ PHE A 97 -20.154 17.462 -6.995 1.00 43.02 C ATOM 0 H PHE A 97 -16.980 18.097 -1.098 1.00 31.41 H new ATOM 0 HA PHE A 97 -18.005 20.090 -3.034 1.00 11.41 H new ATOM 0 HB2 PHE A 97 -16.481 18.711 -4.252 1.00 51.03 H new ATOM 0 HB3 PHE A 97 -17.014 17.254 -3.436 1.00 51.03 H new ATOM 0 HD1 PHE A 97 -17.940 19.782 -5.964 1.00 50.13 H new ATOM 0 HD2 PHE A 97 -18.957 16.050 -4.181 1.00 14.14 H new ATOM 0 HE1 PHE A 97 -19.543 19.355 -7.775 1.00 42.44 H new ATOM 0 HE2 PHE A 97 -20.560 15.620 -5.990 1.00 73.33 H new ATOM 0 HZ PHE A 97 -20.861 17.275 -7.790 1.00 43.02 H new ATOM 1153 N GLN A 98 -20.339 19.339 -2.708 1.00 3.20 N ATOM 1154 CA GLN A 98 -21.723 18.981 -2.420 1.00 45.01 C ATOM 1155 C GLN A 98 -21.932 18.779 -0.923 1.00 55.50 C ATOM 1156 O GLN A 98 -22.852 18.078 -0.504 1.00 13.31 O ATOM 1157 CB GLN A 98 -22.111 17.710 -3.177 1.00 64.23 C ATOM 1158 CG GLN A 98 -23.055 17.960 -4.342 1.00 32.32 C ATOM 1159 CD GLN A 98 -22.691 19.200 -5.133 1.00 45.22 C ATOM 1160 OE1 GLN A 98 -21.518 19.560 -5.240 1.00 62.12 O ATOM 1161 NE2 GLN A 98 -23.696 19.862 -5.694 1.00 11.03 N ATOM 0 H GLN A 98 -20.227 20.222 -3.206 1.00 3.20 H new ATOM 0 HA GLN A 98 -22.361 19.801 -2.750 1.00 45.01 H new ATOM 0 HB2 GLN A 98 -21.207 17.229 -3.550 1.00 64.23 H new ATOM 0 HB3 GLN A 98 -22.580 17.013 -2.483 1.00 64.23 H new ATOM 0 HG2 GLN A 98 -23.045 17.095 -5.005 1.00 32.32 H new ATOM 0 HG3 GLN A 98 -24.073 18.060 -3.965 1.00 32.32 H new ATOM 0 HE21 GLN A 98 -24.653 19.528 -5.580 1.00 11.03 H new ATOM 0 HE22 GLN A 98 -23.511 20.704 -6.239 1.00 11.03 H new ATOM 1170 N GLY A 99 -21.072 19.399 -0.121 1.00 12.42 N ATOM 1171 CA GLY A 99 -21.180 19.275 1.321 1.00 34.10 C ATOM 1172 C GLY A 99 -19.840 19.406 2.017 1.00 61.35 C ATOM 1173 O GLY A 99 -19.555 20.426 2.642 1.00 22.11 O ATOM 0 H GLY A 99 -20.302 19.985 -0.444 1.00 12.42 H new ATOM 0 HA2 GLY A 99 -21.858 20.040 1.698 1.00 34.10 H new ATOM 0 HA3 GLY A 99 -21.621 18.309 1.567 1.00 34.10 H new ATOM 1177 N ASN A 100 -19.015 18.369 1.909 1.00 73.05 N ATOM 1178 CA ASN A 100 -17.698 18.372 2.534 1.00 30.34 C ATOM 1179 C ASN A 100 -16.981 17.046 2.299 1.00 32.40 C ATOM 1180 O ASN A 100 -15.896 16.992 1.720 1.00 40.41 O ATOM 1181 CB ASN A 100 -17.825 18.636 4.036 1.00 5.31 C ATOM 1182 CG ASN A 100 -16.741 17.942 4.839 1.00 41.43 C ATOM 1183 OD1 ASN A 100 -15.563 17.988 4.482 1.00 35.21 O ATOM 1184 ND2 ASN A 100 -17.135 17.295 5.929 1.00 13.21 N ATOM 0 H ASN A 100 -19.236 17.516 1.395 1.00 73.05 H new ATOM 0 HA ASN A 100 -17.109 19.169 2.079 1.00 30.34 H new ATOM 0 HB2 ASN A 100 -17.778 19.710 4.219 1.00 5.31 H new ATOM 0 HB3 ASN A 100 -18.802 18.297 4.380 1.00 5.31 H new ATOM 0 HD21 ASN A 100 -16.451 16.809 6.509 1.00 13.21 H new ATOM 0 HD22 ASN A 100 -18.122 17.284 6.187 1.00 13.21 H new ATOM 1191 N PRO A 101 -17.601 15.948 2.758 1.00 52.33 N ATOM 1192 CA PRO A 101 -17.041 14.602 2.608 1.00 74.23 C ATOM 1193 C PRO A 101 -17.058 14.125 1.159 1.00 1.04 C ATOM 1194 O PRO A 101 -18.045 13.553 0.694 1.00 10.54 O ATOM 1195 CB PRO A 101 -17.966 13.735 3.466 1.00 13.54 C ATOM 1196 CG PRO A 101 -19.257 14.478 3.500 1.00 13.24 C ATOM 1197 CD PRO A 101 -18.897 15.937 3.457 1.00 1.44 C ATOM 0 HA PRO A 101 -15.994 14.561 2.909 1.00 74.23 H new ATOM 0 HB2 PRO A 101 -18.092 12.742 3.034 1.00 13.54 H new ATOM 0 HB3 PRO A 101 -17.562 13.597 4.469 1.00 13.54 H new ATOM 0 HG2 PRO A 101 -19.886 14.206 2.652 1.00 13.24 H new ATOM 0 HG3 PRO A 101 -19.820 14.241 4.403 1.00 13.24 H new ATOM 0 HD2 PRO A 101 -19.647 16.520 2.923 1.00 1.44 H new ATOM 0 HD3 PRO A 101 -18.817 16.361 4.458 1.00 1.44 H new ATOM 1205 N LEU A 102 -15.960 14.363 0.451 1.00 62.22 N ATOM 1206 CA LEU A 102 -15.848 13.957 -0.946 1.00 23.10 C ATOM 1207 C LEU A 102 -14.738 12.926 -1.126 1.00 43.41 C ATOM 1208 O LEU A 102 -13.573 13.194 -0.829 1.00 53.34 O ATOM 1209 CB LEU A 102 -15.577 15.175 -1.831 1.00 74.44 C ATOM 1210 CG LEU A 102 -15.338 14.887 -3.314 1.00 33.30 C ATOM 1211 CD1 LEU A 102 -16.638 14.493 -3.998 1.00 34.14 C ATOM 1212 CD2 LEU A 102 -14.718 16.096 -3.999 1.00 15.01 C ATOM 0 H LEU A 102 -15.135 14.835 0.821 1.00 62.22 H new ATOM 0 HA LEU A 102 -16.793 13.502 -1.244 1.00 23.10 H new ATOM 0 HB2 LEU A 102 -16.423 15.857 -1.746 1.00 74.44 H new ATOM 0 HB3 LEU A 102 -14.705 15.698 -1.438 1.00 74.44 H new ATOM 0 HG LEU A 102 -14.642 14.052 -3.394 1.00 33.30 H new ATOM 0 HD11 LEU A 102 -16.448 14.292 -5.052 1.00 34.14 H new ATOM 0 HD12 LEU A 102 -17.041 13.598 -3.525 1.00 34.14 H new ATOM 0 HD13 LEU A 102 -17.358 15.307 -3.908 1.00 34.14 H new ATOM 0 HD21 LEU A 102 -14.555 15.873 -5.053 1.00 15.01 H new ATOM 0 HD22 LEU A 102 -15.390 16.950 -3.908 1.00 15.01 H new ATOM 0 HD23 LEU A 102 -13.765 16.333 -3.527 1.00 15.01 H new ATOM 1224 N VAL A 103 -15.106 11.747 -1.616 1.00 61.05 N ATOM 1225 CA VAL A 103 -14.141 10.677 -1.840 1.00 31.12 C ATOM 1226 C VAL A 103 -13.963 10.399 -3.328 1.00 52.22 C ATOM 1227 O VAL A 103 -14.938 10.319 -4.076 1.00 14.52 O ATOM 1228 CB VAL A 103 -14.571 9.377 -1.134 1.00 51.21 C ATOM 1229 CG1 VAL A 103 -15.824 8.807 -1.781 1.00 51.33 C ATOM 1230 CG2 VAL A 103 -13.440 8.360 -1.156 1.00 51.20 C ATOM 0 H VAL A 103 -16.066 11.508 -1.866 1.00 61.05 H new ATOM 0 HA VAL A 103 -13.193 11.013 -1.421 1.00 31.12 H new ATOM 0 HB VAL A 103 -14.801 9.608 -0.094 1.00 51.21 H new ATOM 0 HG11 VAL A 103 -16.113 7.889 -1.269 1.00 51.33 H new ATOM 0 HG12 VAL A 103 -16.634 9.533 -1.708 1.00 51.33 H new ATOM 0 HG13 VAL A 103 -15.625 8.590 -2.830 1.00 51.33 H new ATOM 0 HG21 VAL A 103 -13.761 7.448 -0.653 1.00 51.20 H new ATOM 0 HG22 VAL A 103 -13.176 8.131 -2.189 1.00 51.20 H new ATOM 0 HG23 VAL A 103 -12.571 8.771 -0.642 1.00 51.20 H new ATOM 1240 N ILE A 104 -12.712 10.252 -3.752 1.00 14.34 N ATOM 1241 CA ILE A 104 -12.407 9.982 -5.151 1.00 21.31 C ATOM 1242 C ILE A 104 -11.310 8.931 -5.281 1.00 22.43 C ATOM 1243 O ILE A 104 -10.217 9.086 -4.734 1.00 33.31 O ATOM 1244 CB ILE A 104 -11.967 11.260 -5.889 1.00 12.24 C ATOM 1245 CG1 ILE A 104 -11.287 12.227 -4.917 1.00 42.15 C ATOM 1246 CG2 ILE A 104 -13.162 11.924 -6.556 1.00 15.44 C ATOM 1247 CD1 ILE A 104 -12.251 13.157 -4.216 1.00 15.15 C ATOM 0 H ILE A 104 -11.894 10.315 -3.146 1.00 14.34 H new ATOM 0 HA ILE A 104 -13.323 9.607 -5.607 1.00 21.31 H new ATOM 0 HB ILE A 104 -11.249 10.987 -6.663 1.00 12.24 H new ATOM 0 HG12 ILE A 104 -10.740 11.653 -4.169 1.00 42.15 H new ATOM 0 HG13 ILE A 104 -10.553 12.821 -5.462 1.00 42.15 H new ATOM 0 HG21 ILE A 104 -12.835 12.826 -7.074 1.00 15.44 H new ATOM 0 HG22 ILE A 104 -13.607 11.235 -7.274 1.00 15.44 H new ATOM 0 HG23 ILE A 104 -13.901 12.188 -5.799 1.00 15.44 H new ATOM 0 HD11 ILE A 104 -11.699 13.813 -3.543 1.00 15.15 H new ATOM 0 HD12 ILE A 104 -12.780 13.758 -4.956 1.00 15.15 H new ATOM 0 HD13 ILE A 104 -12.970 12.571 -3.643 1.00 15.15 H new ATOM 1259 N THR A 105 -11.607 7.860 -6.010 1.00 60.34 N ATOM 1260 CA THR A 105 -10.646 6.783 -6.213 1.00 75.45 C ATOM 1261 C THR A 105 -10.786 6.177 -7.605 1.00 64.05 C ATOM 1262 O THR A 105 -11.756 6.443 -8.315 1.00 41.11 O ATOM 1263 CB THR A 105 -10.820 5.670 -5.162 1.00 64.03 C ATOM 1264 OG1 THR A 105 -12.205 5.336 -5.026 1.00 14.32 O ATOM 1265 CG2 THR A 105 -10.263 6.106 -3.816 1.00 3.54 C ATOM 0 H THR A 105 -12.506 7.715 -6.470 1.00 60.34 H new ATOM 0 HA THR A 105 -9.653 7.221 -6.108 1.00 75.45 H new ATOM 0 HB THR A 105 -10.268 4.793 -5.499 1.00 64.03 H new ATOM 0 HG1 THR A 105 -12.306 4.627 -4.357 1.00 14.32 H new ATOM 0 HG21 THR A 105 -10.397 5.304 -3.090 1.00 3.54 H new ATOM 0 HG22 THR A 105 -9.201 6.330 -3.917 1.00 3.54 H new ATOM 0 HG23 THR A 105 -10.791 6.996 -3.475 1.00 3.54 H new ATOM 1273 N PHE A 106 -9.810 5.361 -7.991 1.00 33.44 N ATOM 1274 CA PHE A 106 -9.824 4.717 -9.299 1.00 72.11 C ATOM 1275 C PHE A 106 -10.758 3.510 -9.301 1.00 63.15 C ATOM 1276 O PHE A 106 -11.516 3.296 -8.355 1.00 63.05 O ATOM 1277 CB PHE A 106 -8.411 4.283 -9.693 1.00 4.43 C ATOM 1278 CG PHE A 106 -7.388 5.375 -9.553 1.00 72.15 C ATOM 1279 CD1 PHE A 106 -7.125 6.234 -10.608 1.00 65.11 C ATOM 1280 CD2 PHE A 106 -6.690 5.541 -8.368 1.00 55.40 C ATOM 1281 CE1 PHE A 106 -6.185 7.240 -10.483 1.00 64.31 C ATOM 1282 CE2 PHE A 106 -5.750 6.545 -8.237 1.00 42.51 C ATOM 1283 CZ PHE A 106 -5.496 7.395 -9.296 1.00 63.23 C ATOM 0 H PHE A 106 -9.000 5.130 -7.416 1.00 33.44 H new ATOM 0 HA PHE A 106 -10.191 5.440 -10.028 1.00 72.11 H new ATOM 0 HB2 PHE A 106 -8.114 3.436 -9.075 1.00 4.43 H new ATOM 0 HB3 PHE A 106 -8.421 3.935 -10.726 1.00 4.43 H new ATOM 0 HD1 PHE A 106 -7.660 6.116 -11.539 1.00 65.11 H new ATOM 0 HD2 PHE A 106 -6.883 4.878 -7.537 1.00 55.40 H new ATOM 0 HE1 PHE A 106 -5.990 7.904 -11.312 1.00 64.31 H new ATOM 0 HE2 PHE A 106 -5.214 6.665 -7.307 1.00 42.51 H new ATOM 0 HZ PHE A 106 -4.760 8.179 -9.196 1.00 63.23 H new ATOM 1293 N SER A 107 -10.697 2.724 -10.372 1.00 2.30 N ATOM 1294 CA SER A 107 -11.539 1.541 -10.501 1.00 12.02 C ATOM 1295 C SER A 107 -10.874 0.495 -11.390 1.00 22.45 C ATOM 1296 O SER A 107 -9.715 0.640 -11.775 1.00 65.05 O ATOM 1297 CB SER A 107 -12.905 1.921 -11.076 1.00 42.41 C ATOM 1298 OG SER A 107 -13.954 1.307 -10.348 1.00 0.42 O ATOM 0 H SER A 107 -10.073 2.886 -11.163 1.00 2.30 H new ATOM 0 HA SER A 107 -11.677 1.114 -9.508 1.00 12.02 H new ATOM 0 HB2 SER A 107 -13.025 3.004 -11.050 1.00 42.41 H new ATOM 0 HB3 SER A 107 -12.959 1.620 -12.122 1.00 42.41 H new ATOM 0 HG SER A 107 -14.816 1.567 -10.734 1.00 0.42 H new ATOM 1304 N GLU A 108 -11.617 -0.560 -11.710 1.00 12.04 N ATOM 1305 CA GLU A 108 -11.099 -1.632 -12.552 1.00 52.51 C ATOM 1306 C GLU A 108 -11.725 -1.581 -13.943 1.00 34.22 C ATOM 1307 O GLU A 108 -12.895 -1.228 -14.098 1.00 2.50 O ATOM 1308 CB GLU A 108 -11.370 -2.993 -11.908 1.00 3.20 C ATOM 1309 CG GLU A 108 -10.535 -3.255 -10.666 1.00 21.12 C ATOM 1310 CD GLU A 108 -10.635 -4.691 -10.188 1.00 10.31 C ATOM 1311 OE1 GLU A 108 -11.307 -5.497 -10.865 1.00 44.51 O ATOM 1312 OE2 GLU A 108 -10.041 -5.008 -9.136 1.00 41.01 O ATOM 0 H GLU A 108 -12.579 -0.695 -11.399 1.00 12.04 H new ATOM 0 HA GLU A 108 -10.022 -1.494 -12.651 1.00 52.51 H new ATOM 0 HB2 GLU A 108 -12.426 -3.058 -11.646 1.00 3.20 H new ATOM 0 HB3 GLU A 108 -11.174 -3.777 -12.639 1.00 3.20 H new ATOM 0 HG2 GLU A 108 -9.492 -3.018 -10.877 1.00 21.12 H new ATOM 0 HG3 GLU A 108 -10.858 -2.587 -9.868 1.00 21.12 H new ATOM 1319 N THR A 109 -10.938 -1.937 -14.953 1.00 70.22 N ATOM 1320 CA THR A 109 -11.413 -1.931 -16.331 1.00 60.40 C ATOM 1321 C THR A 109 -10.983 -3.196 -17.066 1.00 52.21 C ATOM 1322 O THR A 109 -10.110 -3.172 -17.934 1.00 32.02 O ATOM 1323 CB THR A 109 -10.892 -0.702 -17.100 1.00 31.34 C ATOM 1324 OG1 THR A 109 -9.464 -0.641 -17.016 1.00 21.21 O ATOM 1325 CG2 THR A 109 -11.493 0.579 -16.542 1.00 51.21 C ATOM 0 H THR A 109 -9.968 -2.233 -14.843 1.00 70.22 H new ATOM 0 HA THR A 109 -12.501 -1.890 -16.290 1.00 60.40 H new ATOM 0 HB THR A 109 -11.190 -0.800 -18.144 1.00 31.34 H new ATOM 0 HG1 THR A 109 -9.077 -1.440 -17.431 1.00 21.21 H new ATOM 0 HG21 THR A 109 -11.111 1.434 -17.100 1.00 51.21 H new ATOM 0 HG22 THR A 109 -12.578 0.542 -16.634 1.00 51.21 H new ATOM 0 HG23 THR A 109 -11.221 0.681 -15.491 1.00 51.21 H new ATOM 1333 N PRO A 110 -11.610 -4.328 -16.713 1.00 62.14 N ATOM 1334 CA PRO A 110 -11.309 -5.624 -17.329 1.00 70.01 C ATOM 1335 C PRO A 110 -11.778 -5.700 -18.778 1.00 61.21 C ATOM 1336 O PRO A 110 -12.407 -4.772 -19.285 1.00 43.04 O ATOM 1337 CB PRO A 110 -12.087 -6.618 -16.462 1.00 42.44 C ATOM 1338 CG PRO A 110 -13.202 -5.820 -15.880 1.00 10.11 C ATOM 1339 CD PRO A 110 -12.661 -4.430 -15.687 1.00 24.41 C ATOM 0 HA PRO A 110 -10.237 -5.818 -17.367 1.00 70.01 H new ATOM 0 HB2 PRO A 110 -12.464 -7.451 -17.056 1.00 42.44 H new ATOM 0 HB3 PRO A 110 -11.455 -7.043 -15.682 1.00 42.44 H new ATOM 0 HG2 PRO A 110 -14.066 -5.814 -16.545 1.00 10.11 H new ATOM 0 HG3 PRO A 110 -13.533 -6.245 -14.932 1.00 10.11 H new ATOM 0 HD2 PRO A 110 -13.434 -3.675 -15.827 1.00 24.41 H new ATOM 0 HD3 PRO A 110 -12.258 -4.291 -14.684 1.00 24.41 H new ATOM 1347 N GLN A 111 -11.468 -6.812 -19.438 1.00 0.42 N ATOM 1348 CA GLN A 111 -11.858 -7.007 -20.829 1.00 72.50 C ATOM 1349 C GLN A 111 -11.974 -8.492 -21.158 1.00 61.21 C ATOM 1350 O GLN A 111 -11.554 -8.936 -22.227 1.00 10.31 O ATOM 1351 CB GLN A 111 -10.845 -6.343 -21.763 1.00 73.33 C ATOM 1352 CG GLN A 111 -11.399 -6.044 -23.147 1.00 12.52 C ATOM 1353 CD GLN A 111 -11.322 -4.571 -23.500 1.00 30.30 C ATOM 1354 OE1 GLN A 111 -11.961 -3.734 -22.862 1.00 51.25 O ATOM 1355 NE2 GLN A 111 -10.537 -4.247 -24.521 1.00 23.44 N ATOM 0 H GLN A 111 -10.949 -7.590 -19.032 1.00 0.42 H new ATOM 0 HA GLN A 111 -12.834 -6.544 -20.975 1.00 72.50 H new ATOM 0 HB2 GLN A 111 -10.500 -5.413 -21.310 1.00 73.33 H new ATOM 0 HB3 GLN A 111 -9.974 -6.991 -21.861 1.00 73.33 H new ATOM 0 HG2 GLN A 111 -10.846 -6.621 -23.888 1.00 12.52 H new ATOM 0 HG3 GLN A 111 -12.437 -6.372 -23.198 1.00 12.52 H new ATOM 0 HE21 GLN A 111 -10.026 -4.974 -25.022 1.00 23.44 H new ATOM 0 HE22 GLN A 111 -10.446 -3.271 -24.804 1.00 23.44 H new ATOM 1364 N SER A 112 -12.546 -9.256 -20.232 1.00 45.33 N ATOM 1365 CA SER A 112 -12.713 -10.692 -20.422 1.00 44.24 C ATOM 1366 C SER A 112 -14.049 -10.999 -21.091 1.00 62.53 C ATOM 1367 O SER A 112 -14.196 -12.016 -21.769 1.00 24.44 O ATOM 1368 CB SER A 112 -12.622 -11.419 -19.080 1.00 31.34 C ATOM 1369 OG SER A 112 -11.534 -12.327 -19.063 1.00 43.44 O ATOM 0 H SER A 112 -12.901 -8.904 -19.343 1.00 45.33 H new ATOM 0 HA SER A 112 -11.912 -11.044 -21.072 1.00 44.24 H new ATOM 0 HB2 SER A 112 -12.505 -10.692 -18.276 1.00 31.34 H new ATOM 0 HB3 SER A 112 -13.551 -11.957 -18.891 1.00 31.34 H new ATOM 0 HG SER A 112 -11.497 -12.777 -18.193 1.00 43.44 H new ATOM 1375 N GLN A 113 -15.019 -10.113 -20.895 1.00 54.13 N ATOM 1376 CA GLN A 113 -16.344 -10.290 -21.479 1.00 10.33 C ATOM 1377 C GLN A 113 -16.252 -10.491 -22.988 1.00 1.33 C ATOM 1378 O GLN A 113 -17.095 -11.156 -23.588 1.00 73.54 O ATOM 1379 CB GLN A 113 -17.228 -9.081 -21.166 1.00 45.32 C ATOM 1380 CG GLN A 113 -16.611 -7.754 -21.579 1.00 52.11 C ATOM 1381 CD GLN A 113 -17.566 -6.589 -21.410 1.00 55.11 C ATOM 1382 OE1 GLN A 113 -18.741 -6.677 -21.769 1.00 60.12 O ATOM 1383 NE2 GLN A 113 -17.067 -5.488 -20.861 1.00 23.24 N ATOM 0 H GLN A 113 -14.913 -9.266 -20.337 1.00 54.13 H new ATOM 0 HA GLN A 113 -16.791 -11.182 -21.039 1.00 10.33 H new ATOM 0 HB2 GLN A 113 -18.186 -9.200 -21.673 1.00 45.32 H new ATOM 0 HB3 GLN A 113 -17.434 -9.059 -20.096 1.00 45.32 H new ATOM 0 HG2 GLN A 113 -15.715 -7.574 -20.985 1.00 52.11 H new ATOM 0 HG3 GLN A 113 -16.296 -7.813 -22.621 1.00 52.11 H new ATOM 0 HE21 GLN A 113 -16.088 -5.458 -20.578 1.00 23.24 H new ATOM 0 HE22 GLN A 113 -17.663 -4.672 -20.722 1.00 23.24 H new ATOM 1392 N VAL A 114 -15.222 -9.910 -23.595 1.00 62.33 N ATOM 1393 CA VAL A 114 -15.019 -10.026 -25.034 1.00 62.14 C ATOM 1394 C VAL A 114 -14.030 -11.140 -25.362 1.00 54.41 C ATOM 1395 O VAL A 114 -14.130 -11.785 -26.405 1.00 73.10 O ATOM 1396 CB VAL A 114 -14.505 -8.705 -25.637 1.00 12.01 C ATOM 1397 CG1 VAL A 114 -15.495 -7.579 -25.378 1.00 72.54 C ATOM 1398 CG2 VAL A 114 -13.135 -8.360 -25.074 1.00 23.40 C ATOM 0 H VAL A 114 -14.516 -9.354 -23.113 1.00 62.33 H new ATOM 0 HA VAL A 114 -15.988 -10.264 -25.472 1.00 62.14 H new ATOM 0 HB VAL A 114 -14.408 -8.832 -26.715 1.00 12.01 H new ATOM 0 HG11 VAL A 114 -15.115 -6.654 -25.811 1.00 72.54 H new ATOM 0 HG12 VAL A 114 -16.454 -7.826 -25.833 1.00 72.54 H new ATOM 0 HG13 VAL A 114 -15.626 -7.450 -24.304 1.00 72.54 H new ATOM 0 HG21 VAL A 114 -12.787 -7.424 -25.511 1.00 23.40 H new ATOM 0 HG22 VAL A 114 -13.203 -8.252 -23.992 1.00 23.40 H new ATOM 0 HG23 VAL A 114 -12.431 -9.157 -25.315 1.00 23.40 H new ATOM 1408 N ALA A 115 -13.076 -11.360 -24.464 1.00 12.44 N ATOM 1409 CA ALA A 115 -12.071 -12.397 -24.656 1.00 25.03 C ATOM 1410 C ALA A 115 -12.721 -13.761 -24.858 1.00 21.44 C ATOM 1411 O ALA A 115 -12.359 -14.502 -25.772 1.00 13.25 O ATOM 1412 CB ALA A 115 -11.118 -12.435 -23.470 1.00 2.31 C ATOM 0 H ALA A 115 -12.978 -10.833 -23.596 1.00 12.44 H new ATOM 0 HA ALA A 115 -11.505 -12.157 -25.556 1.00 25.03 H new ATOM 0 HB1 ALA A 115 -10.372 -13.214 -23.627 1.00 2.31 H new ATOM 0 HB2 ALA A 115 -10.620 -11.471 -23.373 1.00 2.31 H new ATOM 0 HB3 ALA A 115 -11.678 -12.647 -22.560 1.00 2.31 H new ATOM 1418 N GLU A 116 -13.681 -14.087 -23.998 1.00 74.12 N ATOM 1419 CA GLU A 116 -14.380 -15.364 -24.083 1.00 34.02 C ATOM 1420 C GLU A 116 -15.138 -15.483 -25.402 1.00 62.42 C ATOM 1421 O GLU A 116 -15.247 -16.569 -25.972 1.00 25.42 O ATOM 1422 CB GLU A 116 -15.350 -15.518 -22.910 1.00 35.44 C ATOM 1423 CG GLU A 116 -15.053 -16.720 -22.028 1.00 75.13 C ATOM 1424 CD GLU A 116 -16.201 -17.057 -21.096 1.00 24.33 C ATOM 1425 OE1 GLU A 116 -16.905 -16.122 -20.660 1.00 25.21 O ATOM 1426 OE2 GLU A 116 -16.394 -18.255 -20.801 1.00 72.24 O ATOM 0 H GLU A 116 -13.992 -13.485 -23.235 1.00 74.12 H new ATOM 0 HA GLU A 116 -13.636 -16.160 -24.038 1.00 34.02 H new ATOM 0 HB2 GLU A 116 -15.317 -14.614 -22.301 1.00 35.44 H new ATOM 0 HB3 GLU A 116 -16.365 -15.604 -23.298 1.00 35.44 H new ATOM 0 HG2 GLU A 116 -14.835 -17.583 -22.657 1.00 75.13 H new ATOM 0 HG3 GLU A 116 -14.158 -16.521 -21.439 1.00 75.13 H new ATOM 1433 N ASP A 117 -15.660 -14.360 -25.881 1.00 43.25 N ATOM 1434 CA ASP A 117 -16.407 -14.337 -27.134 1.00 3.13 C ATOM 1435 C ASP A 117 -16.568 -12.909 -27.645 1.00 5.54 C ATOM 1436 O ASP A 117 -17.686 -12.418 -27.803 1.00 52.22 O ATOM 1437 CB ASP A 117 -17.781 -14.982 -26.945 1.00 4.14 C ATOM 1438 CG ASP A 117 -18.510 -15.186 -28.258 1.00 11.12 C ATOM 1439 OD1 ASP A 117 -17.837 -15.451 -29.276 1.00 20.51 O ATOM 1440 OD2 ASP A 117 -19.754 -15.081 -28.267 1.00 53.24 O ATOM 0 H ASP A 117 -15.580 -13.453 -25.421 1.00 43.25 H new ATOM 0 HA ASP A 117 -15.845 -14.907 -27.874 1.00 3.13 H new ATOM 0 HB2 ASP A 117 -17.662 -15.944 -26.446 1.00 4.14 H new ATOM 0 HB3 ASP A 117 -18.386 -14.355 -26.290 1.00 4.14 H new TER 1445 ASP A 117